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Compound Detail

CHEMBL105753

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CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CO[C@@H]2CCO[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL105753
Phase Preclinical
Structure Type MOL
InChI Key UADOOGITMYZIDM-QHVVJTBISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

557.7
MW (Da)
3.04
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H47N3O6
MW 557.73
Aromatic Rings 1
Heavy Atoms 40
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
8765511 10.1021/jm960128k Human immunodeficiency virus 1 1
8765511 10.1021/jm960128k Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine