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Compound Detail

CHEMBL88254

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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88254
Phase Preclinical
Structure Type MOL
InChI Key PPIHIEVAIODJNM-DCJLPXQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

765.0
MW (Da)
6.48
ALogP
7
HBA
5
HBD
155.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H56N4O7
MW 764.96
Aromatic Rings 4
Heavy Atoms 56
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
2213822 10.1021/jm00172a002 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine