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Compound Detail

CHEMBL372360

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CS(=O)(=O)O.Cc1ccc(-c2cccc3sc(C(=O)N=C(N)N)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL372360
Phase Preclinical
Structure Type MOL
InChI Key XRLUEJZIYDKBOC-UHFFFAOYSA-N
Parent Compound CHEMBL1184832
Active Moiety CHEMBL1184832
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.29
ALogP
2
HBA
2
HBD
81.5
PSA (Ų)
0.56
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 C18H19N3O4S2
MW 405.50
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.07

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