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Compound Detail

CHEMBL4224756

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CN(Cc1ccc(OCCCN)cc1)c1nc2ccc(Oc3ccc(O)cc3)cc2s1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4224756
Phase Preclinical
Structure Type MOL
InChI Key AOLLOVRTUDOERS-UHFFFAOYSA-N
Parent Compound CHEMBL4301117
Active Moiety CHEMBL4301117
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

435.6
MW (Da)
5.16
ALogP
7
HBA
2
HBD
80.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26F3N3O5S
MW 549.57
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.13

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
29622412 10.1016/j.bmc.2018.03.031 Voltage-dependent N-type calcium channel subunit alpha-1B 1
29622412 10.1016/j.bmc.2018.03.031 Voltage-dependent T-type calcium channel subunit alpha-1H 1

Data from ChEMBL 36 via Core Engine