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Compound Detail

CHEMBL1933881

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N#C/C(=C\c1c[nH]c2c1ccc1ccccc12)c1nc2ccccc2[nH]1

Basic Information

ChEMBL ID CHEMBL1933881
Phase Preclinical
Structure Type MOL
InChI Key YNXHUQYPOPAXPF-RVDMUPIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
5.26
ALogP
2
HBA
2
HBD
68.3
PSA (Ų)
0.43
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 C22H14N4
MW 334.38
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -1.02

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