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Compound Detail

CHEMBL76890

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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)CCc1ccc(OC)cc1)C(C)C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76890
Phase Preclinical
Structure Type MOL
InChI Key BBQRYLNKYIOEEX-GOQCWZIISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

626.8
MW (Da)
1.83
ALogP
7
HBA
5
HBD
182.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H46N6O7
MW 626.76
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
1875337 10.1021/jm00112a014 Angiotensin II receptor 2
1875337 10.1021/jm00112a014 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine