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Compound Detail

CHEMBL1933877

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N#C/C(=C\c1c(Cl)ncnc1Cl)c1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1933877
Phase Preclinical
Structure Type MOL
InChI Key BPQUNVUENPAWNZ-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.1
MW (Da)
3.72
ALogP
4
HBA
1
HBD
78.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7Cl2N5
MW 316.15
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.39

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