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Compound Detail

CHEMBL1933888

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N#C/C(=C\c1ccc(-c2cccs2)s1)c1nc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1933888
Phase Preclinical
Structure Type MOL
InChI Key NDBYWSFBFCFGLK-ZRDIBKRKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
5.68
ALogP
5
HBA
0
HBD
49.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H10N2OS2
MW 334.43
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.70

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