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Compound Detail

CHEMBL1165594

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Cc1nc(Cn2ncc3c2C(=O)C=CC3=O)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1165594
Phase Preclinical
Structure Type MOL
InChI Key UWDPTSUPWMHTGG-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
1.63
ALogP
6
HBA
0
HBD
64.8
PSA (Ų)
0.82
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 C12H9N3O2S
MW 259.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.35

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
20207054 10.1016/j.ejmech.2010.02.033 Unchecked 2

Data from ChEMBL 36 via Core Engine