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Compound Detail

CHEMBL4226078

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

Basic Information

ChEMBL ID CHEMBL4226078
Phase Preclinical
Structure Type MOL
InChI Key RJFFDVPMAJAHJH-UHFFFAOYSA-N
Parent Compound CHEMBL4300205
Active Moiety CHEMBL4300205
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
6.47
ALogP
6
HBA
1
HBD
60.6
PSA (Ų)
0.27
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 C27H25F6N3O4S
MW 601.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.49

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