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Compound Detail

CHEMBL3764700

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Cc1nc(N/N=C/c2ccc(O)cc2)sc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764700
Phase Preclinical
Structure Type MOL
InChI Key LJDSIKIFEDXBHV-NTUHNPAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.91
ALogP
5
HBA
2
HBD
57.5
PSA (Ų)
0.65
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 C12H13N3OS
MW 247.32
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
26822568 10.1016/j.bmc.2016.01.028 Unchecked 1

Data from ChEMBL 36 via Core Engine