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Compound Detail

CHEMBL194606

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CS(=O)(=O)O.N=C(N)NC(=O)c1cc2c(-c3ccc(Cl)cc3)cccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194606
Phase Preclinical
Structure Type MOL
InChI Key IAHAAVSLCFFSFD-UHFFFAOYSA-N
Parent Compound CHEMBL1181873
Active Moiety CHEMBL1181873
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.8
MW (Da)
3.84
ALogP
3
HBA
3
HBD
79.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3O4S2
MW 425.92
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
15914000 10.1016/j.bmcl.2005.04.046 Sodium/hydrogen exchanger 1 1

Data from ChEMBL 36 via Core Engine