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Compound Detail

CHEMBL5722973

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C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)c(F)cc2c1OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5722973
Phase Preclinical
Structure Type MOL
InChI Key FMEVJCDQZZZMHA-CYBMUJFWSA-N
2
Targets
10
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

473.9
MW (Da)
4.16
ALogP
8
HBA
2
HBD
96.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25ClFN5O3
MW 473.94
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.72

Activity Summary

Ki 10 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
 Ki 7.8 7.1488 16.0 8
Unchecked
CHEMBL612545
 Ki 7.41 7.325 39.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatocyte growth factor receptor Ki = 16.0 nM 7.8 Inhibition of His6-tagged wild type human c-Met expressed in Sf9 cells using (Gl... 19459657
Hepatocyte growth factor receptor Ki = 19.0 nM 7.72 Inhibition of un -tagged wild type human c-Met expressed in Sf9 cells pre-incuba... 19459657
Hepatocyte growth factor receptor Ki = 25.0 nM 7.6 Inhibition of His6-tagged human c-Met H1094R mutant expressed in Sf9 cells pre-i... 19459657
Unchecked Ki = 39.0 nM 7.41 Inhibition of His6-tagged human c-Met M1131T mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 50.0 nM 7.3 Inhibition of His6-tagged human c-Met Y1235D mutant expressed in Sf9 cells pre-i... 19459657
Unchecked Ki = 57.0 nM 7.24 Inhibition of His6-tagged human c-Met V1220I mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 138.0 nM 6.86 Inhibition of His6-tagged human c-Met L1195V mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 210.0 nM 6.68 Inhibition of His6-tagged human c-Met Y1230C mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 211.0 nM 6.68 Inhibition of His6-tagged human c-Met Y1230H mutant expressed in Sf9 cells pre-i... 19459657
Hepatocyte growth factor receptor Ki = 282.0 nM 6.55 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