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Compound Detail

CHEMBL4740644

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Clc1cccc(Nc2nn3c(Cc4ccc5c(c4)OCO5)nnc3s2)c1

Basic Information

ChEMBL ID CHEMBL4740644
Phase Preclinical
Structure Type MOL
InChI Key MTLOGVMDUHGJIH-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.8
MW (Da)
3.90
ALogP
8
HBA
1
HBD
73.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12ClN5O2S
MW 385.84
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.03

Activity Summary

IC50 1 meas. best 6.52
Ki 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 7.1 7.1 80.0 1
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34141080 10.1021/acsmedchemlett.1c00094 Hepatocyte growth factor receptor 2
34141080 10.1021/acsmedchemlett.1c00094 ADMET 1

Data from ChEMBL 36 via Core Engine