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Compound Detail

CHEMBL415394

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CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2c(c1)CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)[C@H](Cc1c[nH]cn1)N2

Basic Information

ChEMBL ID CHEMBL415394
Phase Preclinical
Structure Type MOL
InChI Key DDXHBKSGOKMUDG-ZSDZGELKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

996.1
MW (Da)
-0.56
ALogP
13
HBA
13
HBD
391.8
PSA (Ų)
0.02
QED
3
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H61N13O11
MW 996.10
Aromatic Rings 4
Heavy Atoms 72
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
14761188 10.1021/jm030921v Angiotensin II receptor (AT-1) type-1 1
14761188 10.1021/jm030921v Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine