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Compound Detail

CHEMBL150671

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O=C1N(Cc2ccccc2)C(COc2ccccc2)[C@H](O)[C@@H](O)C(COc2ccccc2)N1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL150671
Phase Preclinical
Structure Type MOL
InChI Key SQBOSZXDOHQFAA-FBVYBBNNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

538.6
MW (Da)
4.74
ALogP
5
HBA
2
HBD
82.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H34N2O5
MW 538.64
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.13

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