General Information of the Compound
Compound ID
CP0127888
Compound Name
AB-460
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Structure
Formula
C24H23N5O3
Molecular Weight
429.48
Canonical SMILES
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1
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InChI
InChI=1S/C24H23N5O3/c1-24(2,3)20-13-21(29-32-20)28-23(31)27-18-10-8-17(9-11-18)26-22(30)19-12-15-6-4-5-7-16(15)14-25-19/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,31)
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InChIKey
YRUDYNCGPZHXRB-UHFFFAOYSA-N
Physicochemical Property
logP
5.4166
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
109.15
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 11189588
SID: 16270620
ChEMBL ID
CHEMBL1081509
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: PT02032, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000124 NFS-60 Mus musculus (Mouse)  1
1
IC50 = 53 nM
   TI
   LI
   LO
   TS
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 8.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 8.5 nM
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 0.7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 1.1 nM