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Compound Detail

CHEMBL1685035

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CCOC(=O)Cc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1685035
Phase Preclinical
Structure Type MOL
InChI Key JPYGSNKXEFGNGD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
1.40
ALogP
8
HBA
2
HBD
127.3
PSA (Ų)
0.69
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 C14H16N4O5S2
MW 384.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -2.09

Activity Summary

IC50 1 meas.

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