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Compound Detail

CHEMBL2374442

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COC(=O)N[C@@H](C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL2374442
Phase Preclinical
Structure Type MOL
InChI Key WKQNFLURXJVQKT-LADGPHEKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

534.7
MW (Da)
2.66
ALogP
7
HBA
4
HBD
151.1
PSA (Ų)
0.21
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 C26H38N4O6S
MW 534.68
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
16644213 10.1016/j.bmcl.2006.04.011 Human immunodeficiency virus 1 1
16644213 10.1016/j.bmcl.2006.04.011 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine