General Information of the Compound
Compound ID
CP0214140
Compound Name
2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
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Synonyms
(R,E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-yl)-ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol
(R,E)-2-(4-(2-(5-(1-(3,5-dichloropyridin-4-yl)ethoxy)-1H-indazol-3-yl)vinyl)-1H-pyrazol-1-yl)ethanol
1254473-64-7
2529AH
AK186860
AKOS027251051
BCP04756
BDBM50189781
C21H19Cl2N5O2
CHEMBL3828009
DTXSID20154776
E9M363811V
EX-A1340
GKJCVYLDJWTWQU-CXLRFSCWSA-N
GTPL8104
LY 2874455
LY-2874455
LY2874455
MolPort-023-219-117
MolPort-044-724-281
QCR-90
SCHEMBL298445
SCHEMBL298446
UNII-E9M363811V
ZINC73069242
s7057
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Structure
Formula
C21H19Cl2N5O2
Molecular Weight
444.322
Canonical SMILES
C[C@@H](Oc1ccc2[nH]nc(\C=C\c3cnn(CCO)c3)c2c1)c1c(Cl)cncc1Cl
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InChI
InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
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InChIKey
GKJCVYLDJWTWQU-CXLRFSCWSA-N
Physicochemical Property
logP
4.7639
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
88.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 46944259
SID: 99457035
ChEMBL ID
CHEMBL3828009
DrugBank ID
DB13022
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: PT01343, Fibroblast growth factor receptor 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.2 nM
2 IC50 = 6 nM
Protein ID: PT07029, Fibroblast growth factor receptor 4
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3
 Cell Line Info 
Mus musculus (Mouse)  2
1
IC50 = 10 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 76 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( LY2874455 )
Drug Name LY2874455
Company Lilly
Indication
Solid tumour/cancer
Phase 2
Target(s)
Fibroblast growth factor receptor 2 (FGFR2)
 Target Info 
Modulator