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Compound Detail

CHEMBL250517

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NCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250517
Phase Preclinical
Structure Type MOL
InChI Key OZDWAHBMLHXZTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.8
MW (Da)
2.51
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17ClN2O2S
MW 312.82
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
17588749 10.1016/j.bmcl.2007.06.032 Protein kinase Pfmrk 1

Data from ChEMBL 36 via Core Engine