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Compound Detail

CHEMBL168675

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CC[C@@H](C)[C@@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(C)=O)C(C)C)C(=O)NCc1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL168675
Phase Preclinical
Structure Type MOL
InChI Key KXAMGWBBXZAXQR-LUNJLAKLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

516.7
MW (Da)
3.73
ALogP
5
HBA
4
HBD
120.4
PSA (Ų)
0.30
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 C29H48N4O4
MW 516.73
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -0.23

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80673-3 Human immunodeficiency virus type 1 protease 1
- 10.1016/S0960-894X(00)80673-3 CV-1 1

Data from ChEMBL 36 via Core Engine