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Compound Detail

CHEMBL136034

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CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)C(C(=O)O)c2ccccc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136034
Phase Preclinical
Structure Type MOL
InChI Key CQVZPQFZYLIETQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

477.0
MW (Da)
5.96
ALogP
5
HBA
1
HBD
71.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29ClN4O2
MW 477.01
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
 IC50 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 380.0 nM 6.42 In vitro antagonist activity against angiotensin II receptor type 1 in rabbit ao... 8277506

Literature References

PubMed DOI Target Context # Activities
8277506 10.1021/jm00078a014 Type-1 angiotensin II receptor 1
8277506 10.1021/jm00078a014 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine