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Compound Detail

CHEMBL124065

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O=C(NCc1ccccn1)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124065
Phase Preclinical
Structure Type MOL
InChI Key WYYNQGNVYFOKTM-SKKKGAJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

570.6
MW (Da)
2.30
ALogP
8
HBA
4
HBD
142.9
PSA (Ų)
0.17
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H34N4O6
MW 570.65
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
9748353 10.1021/jm970777b Human immunodeficiency virus type 1 protease 2
12459011 10.1021/jm0208370 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine