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

CHEMBL5723016

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
OCCn1cc(-c2cnc3nnn(Cc4cc5cccnc5cc4F)c3n2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5723016
Phase Preclinical
Structure Type MOL
InChI Key RSZZWPDCCYKXGM-UHFFFAOYSA-N
2
Targets
9
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
1.81
ALogP
9
HBA
1
HBD
107.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15FN8O
MW 390.38
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -2.06

Activity Summary

Ki 9 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 Ki 8.52 7.1614 3.0 7
Unchecked
CHEMBL612545
 Ki 8.1 7.9 8.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor Ki = 3.0 nM 8.52 Inhibition of His6-tagged wild type human c-Met expressed in Sf9 cells using (Gl... 19459657
Hepatocyte growth factor receptor Ki = 3.0 nM 8.52 Inhibition of un -tagged wild type human c-Met expressed in Sf9 cells pre-incuba... 19459657
Hepatocyte growth factor receptor Ki = 3.0 nM 8.52 Inhibition of His6-tagged human c-Met H1094R mutant expressed in Sf9 cells pre-i... 19459657
Unchecked Ki = 8.0 nM 8.1 Inhibition of His6-tagged human c-Met M1131T mutant expressed in Sf9 cells pre-i... 19459657
Unchecked Ki = 20.0 nM 7.7 Inhibition of His6-tagged human c-Met V1220I mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 49.0 nM 7.31 Inhibition of His6-tagged human c-Met Y1235D mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 157.0 nM 6.8 Inhibition of His6-tagged human c-Met L1195V mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 3500.0 nM 5.46 Inhibition of His6-tagged human c-Met Y1230H mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 10000.0 nM 5.0 Inhibition of His6-tagged human c-Met Y1230C 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