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Compound Detail

CHEMBL117878

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CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)CCC)c2)=C(O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL117878
Phase Preclinical
Structure Type MOL
InChI Key VWDQEADCVMXSAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

499.7
MW (Da)
6.26
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37NO5S
MW 499.67
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
9719600 10.1021/jm9802158 H9 2
9719600 10.1021/jm9802158 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine