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Compound Detail

CHEMBL48526

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CCCCc1nc(Cl)c(CO)n1Cc1ccc(NC(=O)Cn2cccc2C(=O)OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48526
Phase Preclinical
Structure Type MOL
InChI Key GONUYIXKBIPRQU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.9
MW (Da)
3.65
ALogP
7
HBA
2
HBD
98.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27ClN4O4
MW 458.95
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 5.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor B
CHEMBL263
 IC50 5.08 5.08 8370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor B IC50 = 8370.0 nM 5.08 Binding affinity against angiotensin II receptor type 1 (AT1) from rat liver. 8510101

Literature References

PubMed DOI Target Context # Activities
8510101 10.1021/jm00064a007 Type-1 angiotensin II receptor B 1

Data from ChEMBL 36 via Core Engine