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Compound Detail

CHEMBL1089503

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O=C(O)c1sc2c([N+](=O)[O-])c(O)c(O)cc2c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1089503
Phase Preclinical
Structure Type MOL
InChI Key DVSCTGTUHNALAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

289.6
MW (Da)
2.57
ALogP
6
HBA
3
HBD
120.9
PSA (Ų)
0.44
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 C9H4ClNO6S
MW 289.65
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.58

Literature References

PubMed DOI Target Context # Activities
20231095 10.1016/j.bmcl.2010.02.057 No relevant target 8
20231095 10.1016/j.bmcl.2010.02.057 ADMET 1
20231095 10.1016/j.bmcl.2010.02.057 Catechol O-methyltransferase 1

Data from ChEMBL 36 via Core Engine