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Compound Detail

CHEMBL375335

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CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2cnc[nH]2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL375335
Phase Preclinical
Structure Type MOL
InChI Key NAFXSHWXGXBCDS-CCKFTAQKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
2.22
ALogP
4
HBA
3
HBD
115.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N4O4
MW 412.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.81

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