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

CHEMBL5723028

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
CC(Oc1cc(-c2cnn(CCCC#N)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5723028
Phase Preclinical
Structure Type MOL
InChI Key OJRVINDNYRRSAQ-UHFFFAOYSA-N
2
Targets
10
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.3
MW (Da)
5.42
ALogP
6
HBA
1
HBD
89.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18Cl2FN5O
MW 434.30
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.51

Activity Summary

Ki 10 meas. best 7.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 Ki 7.31 6.8038 49.0 8
Unchecked
CHEMBL612545
 Ki 7.19 7.0 64.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor Ki = 49.0 nM 7.31 Inhibition of His6-tagged wild type human c-Met expressed in Sf9 cells using (Gl... 19459657
Hepatocyte growth factor receptor Ki = 53.0 nM 7.28 Inhibition of un -tagged wild type human c-Met expressed in Sf9 cells pre-incuba... 19459657
Unchecked Ki = 64.0 nM 7.19 Inhibition of His6-tagged human c-Met M1131T mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 84.0 nM 7.08 Inhibition of His6-tagged human c-Met H1094R mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 136.0 nM 6.87 Inhibition of His6-tagged human c-Met Y1235D mutant expressed in Sf9 cells pre-i... 19459657
Unchecked Ki = 154.0 nM 6.81 Inhibition of His6-tagged human c-Met V1220I mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 281.0 nM 6.55 Inhibition of His6-tagged human c-Met L1195V mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 323.0 nM 6.49 Inhibition of His6-tagged human c-Met Y1230C mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 336.0 nM 6.47 Inhibition of His6-tagged human c-Met Y1230H mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 418.0 nM 6.38 Inhibition of His6-tagged human c-Met D1228H mutant expressed in Sf9 cells pre-i... 19459657

Literature References

PubMed DOI Target Context # Activities
19459657 10.1021/bi900438w Hepatocyte growth factor receptor 8
19459657 10.1021/bi900438w Unchecked 2

Data from ChEMBL 36 via Core Engine