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Compound Detail

CHEMBL376869

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CC[C@@H](C)[C@H](NC(=O)c1cccc(Cc2cnc[nH]2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376869
Phase Preclinical
Structure Type MOL
InChI Key USUSBAGHWSGHQZ-ABAIWWIYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.23
ALogP
3
HBA
3
HBD
95.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3O3
MW 315.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
17358051 10.1021/jm0613469 Angiotensin II receptor (AT-1) type-1 1
17358051 10.1021/jm0613469 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine