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Compound Detail

CHEMBL150144

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CC(C)(C)OC(=O)NC[C@H](Sc1ccccc1)[C@@H](O)[C@H](O)[C@H](CNC(=O)OC(C)(C)C)Sc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150144
Phase Preclinical
Structure Type MOL
InChI Key VOHQSTLLMCCIGU-CJRSTVEYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

564.8
MW (Da)
5.08
ALogP
8
HBA
4
HBD
117.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40N2O6S2
MW 564.77
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.36

Literature References

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

Data from ChEMBL 36 via Core Engine