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Compound Detail

CHEMBL34021

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CN1c2cccnc2Nc2ccccc2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34021
Phase Preclinical
Structure Type MOL
InChI Key UMDUUPVSASAJAI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.96
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N3O2S
MW 261.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00257-T C8166 1

Data from ChEMBL 36 via Core Engine