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Compound Detail

CHEMBL291072

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CC1N=C(S)N(Nc2ccccc2)C1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291072
Phase Preclinical
Structure Type MOL
InChI Key UWJBLGQHQDXBCM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
2.39
ALogP
3
HBA
2
HBD
27.6
PSA (Ų)
0.75
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 C11H15N3S
MW 221.33
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.62

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