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Compound Detail

CHEMBL24491

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CSC1=NC(c2cc([N+](=O)[O-])ccc2SC)C2=C(O)OCC2=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24491
Phase Preclinical
Structure Type MOL
InChI Key YAPORRBQZPTYKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.33
ALogP
8
HBA
1
HBD
97.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3O4S2
MW 351.41
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
7837222 10.1021/jm00001a017 Oryctolagus cuniculus 2
7837222 10.1021/jm00001a017 Voltage-dependent L-type calcium channel subunit alpha-1C 1

Data from ChEMBL 36 via Core Engine