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Compound Detail

CHEMBL4741805

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O=C(c1ccc(OCCCN2CCOCC2)cc1)N1c2ccccc2Oc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4741805
Phase Preclinical
Structure Type MOL
InChI Key VPNLDLTZZROBBF-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.87
ALogP
5
HBA
0
HBD
51.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N2O4
MW 430.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.05

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