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Compound Detail

CHEMBL325931

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CCC(C)(C)NC1=NS(=O)(=O)c2cc(Cl)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325931
Phase Preclinical
Structure Type MOL
InChI Key RLHBDBWDXYRDOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.8
MW (Da)
2.59
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.88
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 C12H16ClN3O2S
MW 301.80
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
12852765 10.1021/jm021117w Rattus norvegicus 7
22809560 10.1016/j.ejmech.2012.06.050 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine