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Compound Detail

CHEMBL440504

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CC/C(=N\N=C(\N)S)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440504
Phase Preclinical
Structure Type MOL
InChI Key GACGSIKNWJRYHP-FMIVXFBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

207.3
MW (Da)
2.05
ALogP
2
HBA
2
HBD
50.7
PSA (Ų)
0.34
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 C10H13N3S
MW 207.30
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
12061873 10.1021/jm010459j Cruzipain 1
31015905 10.1039/C9MD00005D Tyrosinase 1

Data from ChEMBL 36 via Core Engine