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Compound Detail

CHEMBL276892

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CC(C)(C)NC(=O)[C@@H]1C[C@H](OCc2ccncc2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL276892
Phase Preclinical
Structure Type MOL
InChI Key FXGXHPLBTOAXAD-JDIHBLRXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

600.8
MW (Da)
4.46
ALogP
6
HBA
3
HBD
103.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H48N4O4
MW 600.80
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
10737742 10.1021/jm990336n Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine