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Compound Detail

CHEMBL1779102

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CC(NNC(N)=S)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1779102
Phase Preclinical
Structure Type MOL
InChI Key HEALWZXJXQFSGE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

195.3
MW (Da)
1.09
ALogP
2
HBA
3
HBD
50.1
PSA (Ų)
0.50
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 C9H13N3S
MW 195.29
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
21601449 10.1016/j.bmcl.2011.04.146 B16 2

Data from ChEMBL 36 via Core Engine