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Compound Detail

CHEMBL95379

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CN1C/C(=C\c2cccs2)c2nc(O)c(C#N)c(-c3cccs3)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL95379
Phase Preclinical
Structure Type MOL
InChI Key UVZQXAKBCIKLBZ-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.5
MW (Da)
4.43
ALogP
6
HBA
1
HBD
60.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N3OS2
MW 365.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
10956199 10.1021/jm000038m MT4 1
10956199 10.1021/jm000038m Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine