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Compound Detail

CHEMBL1819510

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CCCC(CCC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL1819510
Phase Preclinical
Structure Type MOL
InChI Key RLZBHNDILLUPCN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
5.69
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H37FN2O
MW 424.60
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent T-type calcium channel subunit alpha-1G
CHEMBL4641
IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21875808 10.1016/j.bmc.2011.07.030 Voltage-dependent T-type calcium channel subunit alpha-1G 1

Data from ChEMBL 36 via Core Engine