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Compound Detail

CHEMBL379133

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CNc1nccc(-c2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3Cl)s2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379133
Phase Preclinical
Structure Type MOL
InChI Key ZMPQDHMDRQYSKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
4.07
ALogP
6
HBA
2
HBD
84.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16Cl2N4O2S2
MW 443.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.01

Literature References

PubMed DOI Target Context # Activities
16765046 10.1016/j.bmcl.2006.05.092 RAC-gamma serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine