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Compound Detail

CHEMBL289913

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Cc1cccc(NN2C(S)=NC(C)C2c2cccc(C#N)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289913
Phase Preclinical
Structure Type MOL
InChI Key SWPZZWMBQWVDIK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.92
ALogP
4
HBA
2
HBD
51.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4S
MW 322.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
12672256 10.1021/jm0211117 Human immunodeficiency virus 1 3
12672256 10.1021/jm0211117 Human immunodeficiency virus 2 1
12672256 10.1021/jm0211117 Simian immunodeficiency virus 1
12672256 10.1021/jm0211117 MT4 1

Data from ChEMBL 36 via Core Engine