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Compound Detail

CHEMBL38690

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CC1N=C(S)N(Nc2cccc(Cl)c2)C1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL38690
Phase Preclinical
Structure Type MOL
InChI Key CKTBXZNYBSWHGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

255.8
MW (Da)
3.05
ALogP
3
HBA
2
HBD
27.6
PSA (Ų)
0.80
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 C11H14ClN3S
MW 255.77
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.06

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