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Compound Detail

CHEMBL136028

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CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC(C)C)C(C(=O)O)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL136028
Phase Preclinical
Structure Type MOL
InChI Key NTURMOAHSWNKGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
5.95
ALogP
5
HBA
1
HBD
71.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34N4O2
MW 470.62
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
 IC50 7.66 7.66 22.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 22.0 nM 7.66 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