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Compound Detail

CHEMBL358094

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Cc1cc(C)cc(Sc2c(C)cnc(O)c2NC(=O)Cc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358094
Phase Preclinical
Structure Type MOL
InChI Key RICRLAMHMKSDTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
5.04
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O2S
MW 378.50
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
7473595 10.1021/jm00023a007 Human immunodeficiency virus 1 1
7473595 10.1021/jm00023a007 CEM-SS 1

Data from ChEMBL 36 via Core Engine