Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL200735

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(Cl)c3)c1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200735
Phase Preclinical
Structure Type MOL
InChI Key WVDRRFJDEHTKNN-UHFFFAOYSA-N
9
Targets
10
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

341.8
MW (Da)
4.40
ALogP
4
HBA
2
HBD
59.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClN3O2
MW 341.80
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.99

Activity Summary

IC50 10 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 8.52 7.545 3.0 2
LoVo
CHEMBL614721
 IC50 7.92 7.92 12.0 1
NCI-H460
CHEMBL396
 IC50 7.52 7.52 30.0 1
T47D
CHEMBL614361
 IC50 7.52 7.52 30.0 1
PC-3
CHEMBL390
 IC50 7.32 7.32 48.0 1
ASPC1
CHEMBL612588
 IC50 6.37 6.37 427.0 1
A-375
CHEMBL613859
 IC50 5.8 5.8 1580.0 1
HUVEC
CHEMBL613979
 IC50 5.76 5.76 1730.0 1
U-87 MG
CHEMBL614247
 IC50 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor beta IC50 = 3.0 nM 8.52 Inhibitory activity against PDGFRbeta kinase 16366598
LoVo IC50 = 12.0 nM 7.92 Antiproliferative activity against human colon tumor cell line LoVo 16366598
NCI-H460 IC50 = 30.0 nM 7.52 Antiproliferative activity against human lung tumor cell line H460 16366598
T47D IC50 = 30.0 nM 7.52 Antiproliferative activity against human breast tumor cell line T47D 16366598
PC-3 IC50 = 48.0 nM 7.32 Antiproliferative activity against human prostate tumor cell line PC3 16366598
Platelet-derived growth factor receptor beta IC50 = 268.0 nM 6.57 Antiproliferative activity against PDGF-BB stimulated HCASMC 16366598
ASPC1 IC50 = 427.0 nM 6.37 Antiproliferative activity against human pancreatic tumor cell line AsPC1 16366598
A-375 IC50 = 1580.0 nM 5.8 Antiproliferative activity against human melanoma tumor cell line A375 16366598
HUVEC IC50 = 1730.0 nM 5.76 Antiproliferative activity against LSGS stimulated HUVEC 16366598
U-87 MG IC50 = 24000.0 nM 4.62 Antiproliferative activity against human glioma tumor cell line U87MG 16366598

Literature References

PubMed DOI Target Context # Activities
16366598 10.1021/jm050680m Platelet-derived growth factor receptor beta 2
16366598 10.1021/jm050680m HUVEC 1
16366598 10.1021/jm050680m NCI-H460 1
16366598 10.1021/jm050680m LoVo 1
16366598 10.1021/jm050680m PC-3 1
16366598 10.1021/jm050680m T47D 1
16366598 10.1021/jm050680m A-375 1
16366598 10.1021/jm050680m ASPC1 1
16366598 10.1021/jm050680m U-87 MG 1

Data from ChEMBL 36 via Core Engine