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Compound Detail

CHEMBL1684950

SUVECALTAMIDE
🧪 Phase II
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🧪 Phase II
CC(C)c1ccc(CC(=O)N[C@H](C)c2ccc(OCC(F)(F)F)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1684950
Name SUVECALTAMIDE
Phase Phase II
Structure Type MOL
InChI Key IQIKXZMPPBEWAD-CQSZACIVSA-N

Known Names

Cx-8998 JZP-385 JZP385 Mk-8998 Suvecaltamide
5
Targets
15
Activities
1
Assay Types
30
PK Parameters
20
Publications
5
Known Names
3
Indications
1
Mechanisms

Molecular Properties

380.4
MW (Da)
4.57
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Year 2021

Extended Properties

Molecular Formula C20H23F3N2O2
MW 380.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.43

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Voltage-gated T-type calcium channel modulator MODULATOR Voltage-gated T-type calcium channel ✓ ✓

Indications

Epilepsy Essential Tremor Schizophrenia

Activity Summary

IC50 15 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-dependent T-type calcium channel subunit alpha-1G
CHEMBL4641
 IC50 8.92 8.3333 1.2 3
Voltage-dependent T-type calcium channel subunit alpha-1I
CHEMBL5558
 IC50 8.82 7.595 1.5 6
Voltage-dependent T-type calcium channel subunit alpha-1H
CHEMBL1859
 IC50 8.09 7.7333 8.2 3
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 5.4 5.23 4000.0 2
Cannabinoid receptor 2
CHEMBL253
 IC50 5.27 5.27 5340.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 2396.58 ng.hr.mL-1 Rattus norvegicus
AUC 16357.63 ng.hr.mL-1 Rattus norvegicus
AUC 2396.58 ng.hr.mL-1 Rattus norvegicus
AUC 722.78 ng.hr.mL-1 Rattus norvegicus
AUC 4298.63 ng.hr.mL-1 Canis lupus familiaris
AUC 2662.87 ng.hr.mL-1 Canis lupus familiaris
AUC 570.62 ng.hr.mL-1 Macaca mulatta
AUC 190.21 ng.hr.mL-1 Macaca mulatta
AUC 2244.42 ng.hr.mL-1 Rattus norvegicus
AUC 4945.33 ng.hr.mL-1 Rattus norvegicus
AUC 2548.75 ng.hr.mL-1 Canis lupus familiaris
AUC 798.86 ng.hr.mL-1 Macaca mulatta
AUC 7874.49 ng.hr.mL-1 Rattus norvegicus
AUC 35986.79 ng.hr.mL-1 Rattus norvegicus
AUC 83309.79 ng.hr.mL-1 Rattus norvegicus
AUC 13352.39 ng.hr.mL-1 Rattus norvegicus
AUC 16585.88 ng.hr.mL-1 Rattus norvegicus
AUC 126676.53 ng.hr.mL-1 Rattus norvegicus
AUC 166619.58 ng.hr.mL-1 Rattus norvegicus
AUC 177651.47 ng.hr.mL-1 Rattus norvegicus
AUC 232050.1 ng.hr.mL-1 Rattus norvegicus
AUC 1464.58 ng.hr.mL-1 Rattus norvegicus
AUC 2058.02 ng.hr.mL-1 Rattus norvegicus
AUC 4602.96 ng.hr.mL-1 Rattus norvegicus
AUC 10118.91 ng.hr.mL-1 Rattus norvegicus
AUC 64669.7 ng.hr.mL-1 Rattus norvegicus
AUC 210747.14 ng.hr.mL-1 Rattus norvegicus
AUC 99287.01 ng.hr.mL-1 Rattus norvegicus
AUC 215312.06 ng.hr.mL-1 Rattus norvegicus
AUC 23775.62 ng.hr.mL-1 Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-dependent T-type calcium channel subunit alpha-1G IC50 = 1.2 nM 8.92 Inhibition of T-type calcium channel Cav3.1 (unknown origin) expressed in HEK293... 27579577
Voltage-dependent T-type calcium channel subunit alpha-1G IC50 = 1.2 nM 8.92 Inhibition of CaV 3.1 channel (unknown origin) expressed in HEK293 cells by FLEP... 27933950
Voltage-dependent T-type calcium channel subunit alpha-1I IC50 = 1.5 nM 8.82 Inhibition of T-type calcium channel Cav3.3 (unknown origin) expressed in HEK293... 27579577
Voltage-dependent T-type calcium channel subunit alpha-1I IC50 = 1.5 nM 8.82 Inhibition of CaV 3.3 channel (unknown origin) expressed in HEK293 cells by FLEP... 27933950
Voltage-dependent T-type calcium channel subunit alpha-1I IC50 = 3.6 nM 8.44 Inhibition of Cav3.3 in human HEK293 cells measured by FLIPR assay -
Voltage-dependent T-type calcium channel subunit alpha-1H IC50 = 8.2 nM 8.09 Inhibition of recombinant T-type calcium channel Cav3.2 (unknown origin) express... 27579577
Voltage-dependent T-type calcium channel subunit alpha-1H IC50 = 8.2 nM 8.09 Inhibition of CaV 3.2 channel (unknown origin) expressed in HEK293 cells by FLEP... 27933950
Voltage-dependent T-type calcium channel subunit alpha-1G IC50 = 69.0 nM 7.16 Inhibition of Cav3.1 (unknown origin) at holding potential (Vh) -80 mV and measu... -
Voltage-dependent T-type calcium channel subunit alpha-1I IC50 = 84.0 nM 7.08 Inhibition of Cav3.3 (unknown origin) at holding potential (Vh) -80 mV and measu... -
Voltage-dependent T-type calcium channel subunit alpha-1H IC50 = 96.0 nM 7.02 Inhibition of Cav3.2 (unknown origin) at holding potential (Vh) -80 mV and measu... -
Voltage-dependent T-type calcium channel subunit alpha-1I IC50 = 161.0 nM 6.79 Inhibition of Cav3.3 in human HEK293 cells measured under hyperpolarizing condit... -
Voltage-dependent T-type calcium channel subunit alpha-1I IC50 = 2400.0 nM 5.62 Inhibition of Cav3.3 (unknown origin) at holding potential (Vh) -100 mV and meas... -
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 4000.0 nM 5.4 Inhibition of hERG (unknown origin) expressed in CHO-K1 cells measured by whole-... -
Cannabinoid receptor 2 IC50 = 5340.0 nM 5.27 Inhibition of CB2 receptor (unknown origin) -
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 8700.0 nM 5.06 Inhibition of hERG (unknown origin) expressed in CHO-K1 cells measured by PatchX... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303304 U2OS 9
- 10.6019/CHEMBL5303304 Fibroblast 6
- 10.6019/CHEMBL5303304 HEK-293T 5
- 10.6019/CHEMBL5665443 Uracil-DNA glycosylase 1
21316226 10.1016/j.bmcl.2011.01.089 Voltage-dependent T-type calcium channel subunit alpha-1I 1
- 10.6019/CHEMBL5665443 G/T mismatch-specific thymine DNA glycosylase 1
- 10.6019/CHEMBL5665443 Single-strand selective monofunctional uracil DNA glycosylase 1
- 10.6019/CHEMBL5665443 N-glycosylase/DNA lyase 1
- 10.6019/CHEMBL5665443 Endonuclease III-like protein 1 1
- 10.6019/CHEMBL5665443 Endonuclease 8-like 2 1
- 10.6019/CHEMBL5665443 Endonuclease 8-like 1 1
- 10.6019/CHEMBL5665443 Adenine DNA glycosylase 1
- 10.6019/CHEMBL5665443 DNA-3-methyladenine glycosylase 1
- 10.6019/CHEMBL5665443 Methyl-CpG-binding domain protein 4 1
27933950 10.1021/acs.jmedchem.6b01356 Voltage-dependent T-type calcium channel subunit alpha-1I 1
27933950 10.1021/acs.jmedchem.6b01356 Voltage-dependent T-type calcium channel subunit alpha-1H 1
27933950 10.1021/acs.jmedchem.6b01356 Voltage-dependent T-type calcium channel subunit alpha-1G 1
27579577 10.1021/acs.jmedchem.6b00756 Voltage-dependent T-type calcium channel subunit alpha-1G 1
27579577 10.1021/acs.jmedchem.6b00756 Voltage-dependent T-type calcium channel subunit alpha-1H 1
27579577 10.1021/acs.jmedchem.6b00756 Voltage-dependent T-type calcium channel subunit alpha-1I 1

Data from ChEMBL 36 via Core Engine