General Information of the Compound
Compound ID
CP0139001
Compound Name
N-(4-fluorophenyl)-1-methyl-3-[[methyl-[2-(4-phenylphenyl)ethyl]amino]methyl]indole-5-carboxamide
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Structure
Formula
C32H30FN3O
Molecular Weight
491.61
Canonical SMILES
CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
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InChI
InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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InChIKey
XYNOVGMRAYSMEO-UHFFFAOYSA-N
Physicochemical Property
logP
6.9112
Rotatable Bonds
8
Heavy Atom Count
37
Polar Areas
37.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
37

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 155518524
ChEMBL ID
CHEMBL4446681
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01093, 3-phosphoinositide-dependent protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 11000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01390, BDNF/NT-3 growth factors receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6300 nM
   TI
   LI
   LO
   TS
Protein ID: PT01210, Casein kinase II subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01246, Casein kinase II subunit alpha'
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 99000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01080, Dual specificity mitogen-activated protein kinase kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01030, Dual specificity protein kinase CLK1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 13000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01091, Fibroblast growth factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 13000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01115, Fibroblast growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 23000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01411, Fibroblast growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6300 nM
   TI
   LI
   LO
   TS
Protein ID: PT01343, Fibroblast growth factor receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 11000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01141, Focal adhesion kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01201, Hepatocyte growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 61000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00934, High affinity nerve growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 16000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 11000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01572, Mitogen-activated protein kinase 15
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 61000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02105, Mitogen-activated protein kinase 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 90000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02262, Mitogen-activated protein kinase kinase kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 66000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 48000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 81000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8800 nM
   TI
   LI
   LO
   TS
Protein ID: PT01131, RAC-beta serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 21000 nM
   TI
   LI
   LO
   TS
2
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 24000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01159, Receptor tyrosine-protein kinase erbB-4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 7900 nM
   TI
   LI
   LO
   TS
Protein ID: PT01165, SRSF protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 7800 nM
   TI
   LI
   LO
   TS
Protein ID: PT01071, Tyrosine-protein kinase ABL1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 69000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01142, Vascular endothelial growth factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 43000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 31000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00925, Vascular endothelial growth factor receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01675, Wee1-like protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 79000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 = 2700 nM
   TI
   LI
   LO
   TS
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 330 nM
   TI
   LI
   LO
   TS
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 16860 nM
   TI
   LI
   LO
   TS
CL000663 IEC-6 Rattus norvegicus (Rat)  1
1
IC50 = 6430 nM
   TI
   LI
   LO
   TS