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Compound Detail

CHEMBL1773154

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Cc1cc(NCCCCN)c2ccc3c(ccc4c(NCCCCN)cc(C)nc43)c2n1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1773154
Phase Preclinical
Structure Type MOL
InChI Key LXBQKVDDFGNMIF-UHFFFAOYSA-N
Parent Compound CHEMBL1789698
Active Moiety CHEMBL1789698
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
4.85
ALogP
6
HBA
4
HBD
101.9
PSA (Ų)
0.21
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35ClN6
MW 467.06
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
21265542 10.1021/jm100938u Botulinum neurotoxin type A 1

Data from ChEMBL 36 via Core Engine