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Compound Detail

CHEMBL1685045

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CCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1685045
Phase Preclinical
Structure Type MOL
InChI Key PZTCZBHOVIEFIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
3.07
ALogP
8
HBA
3
HBD
161.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27N5O5S3
MW 489.65
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.60

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