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Compound Detail

CHEMBL1081199

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Cc1cccc(C)c1CNc1ncnc2c(C)csc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1081199
Phase Preclinical
Structure Type MOL
InChI Key HMRWYYSBODTUGR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
4.23
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.78
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 C16H17N3S
MW 283.40
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
19846298 10.1016/j.bmcl.2009.07.002 Unchecked 1

Data from ChEMBL 36 via Core Engine