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Compound Detail

CHEMBL4749090

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O=C(c1ccc(OCCCN2CCCC2)cc1)N1c2ccccc2C=Cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749090
Phase Preclinical
Structure Type MOL
InChI Key XGZVQNVRMIBECZ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
6.01
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N2O2
MW 424.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.80

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
32828422 10.1016/j.bmc.2020.115655 Voltage-dependent N-type calcium channel subunit alpha-1B 1
32828422 10.1016/j.bmc.2020.115655 Voltage-dependent T-type calcium channel subunit alpha-1H 1

Data from ChEMBL 36 via Core Engine