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Compound Detail

CHEMBL1933878

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Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)sc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1933878
Phase Preclinical
Structure Type MOL
InChI Key OFGMLLCTAZHKKB-JLHYYAGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
5.15
ALogP
3
HBA
1
HBD
52.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13N3S
MW 315.40
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
22082667 10.1016/j.bmc.2011.10.062 Botulinum neurotoxin type A 1
22082667 10.1016/j.bmc.2011.10.062 Lethal factor 1

Data from ChEMBL 36 via Core Engine