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Compound Detail

CHEMBL334515

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CCCCc1nc2ccc(NC(C)=O)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL334515
Phase Preclinical
Structure Type MOL
InChI Key OWQKATZTCNDOIR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
5.75
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.36
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 C27H27N3O3
MW 441.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor B
CHEMBL263
 IC50 6.75 6.75 180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor B IC50 = 180.0 nM 6.75 Inhibition of specific binding of [125I]angiotensin-II to angiotensin 1 receptor... 8258826

Literature References

PubMed DOI Target Context # Activities
8258826 10.1021/jm00077a007 Type-1 angiotensin II receptor B 1

Data from ChEMBL 36 via Core Engine