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Compound Detail

CHEMBL388776

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COc1ccc(CSc2nc(C(C#N)c3c(Cl)cccc3Cl)c(C(C)C)c(=O)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388776
Phase Preclinical
Structure Type MOL
InChI Key KLSMSVFFZJZESG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

474.4
MW (Da)
6.16
ALogP
5
HBA
1
HBD
78.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21Cl2N3O2S
MW 474.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
17381078 10.1021/jm061167r Human immunodeficiency virus 1 1
17381078 10.1021/jm061167r MT4 1
17381078 10.1021/jm061167r Unchecked 1

Data from ChEMBL 36 via Core Engine