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Compound Detail

CHEMBL279411

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CC1N=C(S)N(Nc2cccc(Cl)c2)C1c1cccc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL279411
Phase Preclinical
Structure Type MOL
InChI Key RMOFMQVZKGSODY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

361.9
MW (Da)
4.10
ALogP
4
HBA
3
HBD
64.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3O2S
MW 361.85
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.80

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