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Compound Detail

CHEMBL3145422

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Cc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3145422
Phase Preclinical
Structure Type MOL
InChI Key ICRINYJHBYGDKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
2.39
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N3OS
MW 245.31
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -2.03

Literature References

PubMed DOI Target Context # Activities
24461353 10.1016/j.bmcl.2014.01.008 Alpha-ketoglutarate-dependent dioxygenase alkB homolog 3 2

Data from ChEMBL 36 via Core Engine