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Compound Detail

CHEMBL201221

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c1csc(-c2nc3ccccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201221
Phase Preclinical
Structure Type MOL
InChI Key XXCGVPNWMZKOER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

200.3
MW (Da)
3.29
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.64
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 C11H8N2S
MW 200.27
Aromatic Rings 3
Heavy Atoms 14
NP-Likeness -1.91

Literature References

PubMed DOI Target Context # Activities
16420038 10.1021/jm050476z Methionine aminopeptidase 3
20621724 10.1016/j.bmcl.2010.05.093 Unchecked 2
20621724 10.1016/j.bmcl.2010.05.093 Methionine aminopeptidase 1 1
20621724 10.1016/j.bmcl.2010.05.093 Methionine aminopeptidase 2 1
- 10.1007/s00044-012-0375-5 Leishmania major 1

Data from ChEMBL 36 via Core Engine