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Compound Detail

CHEMBL1685032

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CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1685032
Phase Preclinical
Structure Type MOL
InChI Key PMDSJEXWWAYJPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
1.61
ALogP
6
HBA
2
HBD
101.0
PSA (Ų)
0.89
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 C11H12N4O3S2
MW 312.38
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.40

Literature References

PubMed DOI Target Context # Activities
21353784 10.1016/j.bmc.2011.01.049 RAC-alpha serine/threonine-protein kinase 1
21353784 10.1016/j.bmc.2011.01.049 BXPC-3 1

Data from ChEMBL 36 via Core Engine