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Compound Detail

CHEMBL87045

CIFENLINE
🧪 Phase II
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🧪 Phase II
c1ccc(C2(c3ccccc3)CC2C2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87045
Name CIFENLINE
Phase Phase II
Structure Type MOL
InChI Key IPOBOOXFSRWSHL-UHFFFAOYSA-N

Known Names

Cibenzolina Cibenzoline Cifenline RO 22-7796 RO-22-7796
4
Targets
7
Activities
1
Assay Types
10
PK Parameters
20
Publications
5
Known Names
1
Indications

Molecular Properties

262.4
MW (Da)
2.99
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Year 1981

Extended Properties

Molecular Formula C18H18N2
MW 262.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.25

Indications

Arrhythmias, Cardiac

ATC Classification

C01BG07
cibenzoline
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY

Activity Summary

IC50 7 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel alpha subunit
CHEMBL2331043
 IC50 5.11 5.11 7800.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 5.06 4.855 8800.0 2
Voltage-dependent L-type calcium channel subunit alpha-1C
CHEMBL2366456
 IC50 4.85 4.7367 14000.0 3
Voltage-gated L-type calcium channel
CHEMBL2095229
 IC50 4.52 4.52 30000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 28.0 mL.min-1.g-1 Homo sapiens
CL 8.6 mL.min-1.kg-1 Homo sapiens
CL 4.4 mL.min-1.kg-1 Homo sapiens
CL 8.6 mL.min-1.kg-1 Homo sapiens
CL 8.6 mL.min-1.kg-1 Homo sapiens
F 80.0 % Homo sapiens
Fu 0.5 - Homo sapiens
Fu 0.5 - Homo sapiens
MRT 7.8 hr Homo sapiens
T1/2 7.3 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel alpha subunit IC50 = 7800.0 nM 5.11 Inhibition of Na channel (species unknown) 21300721
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 8800.0 nM 5.06 Inhibitory concentration against IKr potassium channel 15324906
Voltage-dependent L-type calcium channel subunit alpha-1C IC50 = 14000.0 nM 4.85 Inhibition of L-type calcium channel measured using whole-cell patch clamp in gu... 22761000
Voltage-dependent L-type calcium channel subunit alpha-1C IC50 = 14400.0 nM 4.84 Inhibition of L-type calcium channel measured using whole-cell patch clamp in gu... 22761000
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 22600.0 nM 4.65 Inhibition of hERG K channel 21300721
Voltage-gated L-type calcium channel IC50 = 30000.0 nM 4.52 Inhibition of voltage-gated L-type Ca channel (species unknown) 21300721
Voltage-dependent L-type calcium channel subunit alpha-1C IC50 = 30000.0 nM 4.52 Inhibition of L-type calcium channel measured using whole-cell patch clamp in gu... 22761000

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
20070106 10.1021/jm901371v Homo sapiens 8
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
18426954 10.1124/dmd.108.020479 ADMET 4
22761000 10.1002/jat.2784 Voltage-dependent L-type calcium channel subunit alpha-1C 3
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
10891117 10.1021/jm0000564 No relevant target 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
19445515 10.1021/jm900403j Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
10891117 10.1021/jm0000564 ADMET 2
18426954 10.1124/dmd.108.020479 NON-PROTEIN TARGET 1
20070106 10.1021/jm901371v Plasma 1
21300721 10.1093/cvr/cvr044 Sodium channel alpha subunit 1
21300721 10.1093/cvr/cvr044 Voltage-gated L-type calcium channel 1
21300721 10.1093/cvr/cvr044 Voltage-gated inwardly rectifying potassium channel KCNH2 1
21300721 10.1093/cvr/cvr044 ADMET 1
19108654 10.1021/jm8008663 ADMET 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 2 1

Data from ChEMBL 36 via Core Engine