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Compound Detail

CHEMBL4778999

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C[N+]1(Cc2cccc(/N=N/c3ccccc3)c2)CCCCC1.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778999
Phase Preclinical
Structure Type MOL
InChI Key QUXJZLIHJAORCH-ANVLNOONSA-M
Parent Compound CHEMBL4803226
Active Moiety CHEMBL4803226
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
5.23
ALogP
2
HBA
0
HBD
24.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24IN3
MW 421.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
32447198 10.1016/j.ejmech.2020.112403 Unchecked 2
32447198 10.1016/j.ejmech.2020.112403 Neuronal acetylcholine receptor subunit alpha-7 2
32447198 10.1016/j.ejmech.2020.112403 Neuronal acetylcholine receptor; alpha4/beta2 2
32447198 10.1016/j.ejmech.2020.112403 No relevant target 1
32447198 10.1016/j.ejmech.2020.112403 ADMET 1
32447198 10.1016/j.ejmech.2020.112403 RAW264.7 1

Data from ChEMBL 36 via Core Engine