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Compound Detail

CHEMBL133956

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CCN1C(=O)N(Cc2ccccc2)S(=O)(=O)c2nn(C)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133956
Phase Preclinical
Structure Type MOL
InChI Key RXVDIWGZXNSUGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
1.57
ALogP
5
HBA
0
HBD
75.5
PSA (Ų)
0.86
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 C14H16N4O3S
MW 320.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.45

Literature References

PubMed DOI Target Context # Activities
9767646 10.1021/jm9802012 MT4 2
9767646 10.1021/jm9802012 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine