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Compound Detail

CHEMBL1673335

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O=S(=O)(Cc1noc(CSc2ccc(Cl)cc2)n1)c1ccccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1673335
Phase Preclinical
Structure Type MOL
InChI Key HVNWUDKJXGSUJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

381.9
MW (Da)
3.38
ALogP
7
HBA
0
HBD
86.0
PSA (Ų)
0.60
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 C15H12ClN3O3S2
MW 381.87
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.53

Literature References

PubMed DOI Target Context # Activities
20625148 10.1128/aac.00313-10 ADMET 2
20625148 10.1128/aac.00313-10 Cyclic nucleotide specific phosphodiesterase 1

Data from ChEMBL 36 via Core Engine