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Compound Detail

CHEMBL48281

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CCCCCCCCCCCCCCC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H]1c2ccccc2C[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48281
Phase Preclinical
Structure Type MOL
InChI Key IZVMDIJOVOUJPZ-KGJARIPRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

665.0
MW (Da)
8.75
ALogP
5
HBA
4
HBD
107.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H64N2O5
MW 664.97
Aromatic Rings 2
Heavy Atoms 48
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
1588552 10.1021/jm00088a004 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine