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Compound Detail

CHEMBL334670

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CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334670
Phase Preclinical
Structure Type MOL
InChI Key FNVVJLKPCLOYIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
4.15
ALogP
6
HBA
1
HBD
94.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N4O3S
MW 462.58
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3948
 IC50 8.66 8.66 2.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 2.2 nM 8.66 In vitro binding affinity for angiotensin II AT1 receptor in rabbit aorta 7990105

Literature References

PubMed DOI Target Context # Activities
7990105 10.1021/jm00050a002 Rattus norvegicus 2
7990105 10.1021/jm00050a002 Type-1 angiotensin II receptor 1
7990105 10.1021/jm00050a002 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine