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Compound Detail

CHEMBL2285694

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Nn1c(-c2ccccc2Cl)n[nH]c1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2285694
Phase Preclinical
Structure Type MOL
InChI Key LCHRECYVKFDKAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

226.7
MW (Da)
1.97
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.58
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 C8H7ClN4S
MW 226.69
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.20

Literature References

PubMed DOI Target Context # Activities
- 10.1584/jpestics.30.406 Trans-cinnamate 4-monooxygenase 1

Data from ChEMBL 36 via Core Engine