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Compound Detail

CHEMBL266510

FLINDOKALNER
🧪 Phase III
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🧪 Phase III
COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21

Basic Information

ChEMBL ID CHEMBL266510
Name FLINDOKALNER
Phase Phase III
Structure Type MOL
InChI Key ULYONBAOIMCNEH-HNNXBMFYSA-N

Known Names

BMS-204352 BMS-204352-01 Flindokalner Maxipost
6
Targets
6
Activities
2
Assay Types
19
PK Parameters
20
Publications
4
Known Names
6
Mechanisms

Molecular Properties

359.7
MW (Da)
4.53
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -kalner
USAN Year 2002

Extended Properties

Molecular Formula C16H10ClF4NO2
MW 359.71
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.65

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Calcium-activated potassium channel subunit alpha-1 opener OPENER Calcium-activated potassium channel subunit alpha-1
Voltage-gated potassium channel subunit Kv7.5 activator ACTIVATOR Potassium voltage-gated channel subfamily KQT member 5
Voltage-gated potassium channel subunit Kv7.4 activator ACTIVATOR Potassium voltage-gated channel subfamily KQT member 4
Voltage-gated potassium channel subunit Kv7.2 activator ACTIVATOR Potassium voltage-gated channel subfamily KQT member 2
Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) activator ACTIVATOR Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3)
Voltage-gated potassium channel KCNQ3/KCNQ4 activator ACTIVATOR Voltage-gated potassium channel KCNQ3/KCNQ4

Activity Summary

EC50 5 meas. best 6.45
IC50 1 meas. best 6.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
IC50 6.45 6.45 352.0 1
Calcium-activated potassium channel subunit alpha-1
CHEMBL4304
EC50 6.45 6.45 352.0 1
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL2476
EC50 5.62 5.62 2400.0 1
Potassium voltage-gated channel subfamily KQT member 3
CHEMBL2684
EC50 5.62 5.62 2400.0 1
Potassium voltage-gated channel subfamily KQT member 5
CHEMBL2925
EC50 5.62 5.62 2400.0 1
Potassium voltage-gated channel subfamily KQT member 4
CHEMBL3576
EC50 5.62 5.62 2400.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 3000.0 ng.hr.mL-1 Rattus norvegicus
AUC 28800.0 ng.hr.mL-1 Rattus norvegicus
AUC 320.0 ng.hr.mL-1 Rattus norvegicus
AUC - ng.hr.mL-1 Rattus norvegicus
CL 51.5 mL.min-1.kg-1 Rattus norvegicus
CL 40.2 mL.min-1.kg-1 Macaca
CL 3.1 mL.min-1.kg-1 Canis lupus familiaris
CL 7.63 mL.min-1.kg-1 Homo sapiens
CL 15.0 mL.min-1.kg-1 Homo sapiens
CL 29.9 mL.min-1.kg-1 Rattus norvegicus
Fu 0.0038 - Homo sapiens
MRT 11.0 hr Homo sapiens
T1/2 1.9 hr Rattus norvegicus
T1/2 1.6 hr Rattus norvegicus
T1/2 1.8 hr Rattus norvegicus
T1/2 - hr Rattus norvegicus
T1/2 37.0 hr Homo sapiens
T1/2 168.0 hr Homo sapiens
Vd 5.8 L.kg-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724801 U2OS 320
- 10.6019/CHEMBL5724801 Fibroblast 320
- 10.6019/CHEMBL5724801 HEK-293T 320
11909708 10.1016/s0960-894x(02)00101-4 Rattus norvegicus 10
- 10.6019/CHEMBL5303304 HEK-293T 9
16621936 10.1124/dmd.105.006619 ADMET 8
- 10.6019/CHEMBL5303304 U2OS 7
- 10.6019/CHEMBL5303304 Fibroblast 6
18426954 10.1124/dmd.108.020479 ADMET 4
11909708 10.1016/s0960-894x(02)00101-4 HEK293 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
15781124 10.1016/j.pharmthera.2004.10.013 UDP-glucuronosyltransferase 2B7 2
23121096 10.1021/jm3011433 Calcium-activated potassium channel subunit alpha-1 1
23121096 10.1021/jm3011433 Potassium voltage-gated channel subfamily KQT member 2 1
23121096 10.1021/jm3011433 Potassium voltage-gated channel subfamily KQT member 3 1
23121096 10.1021/jm3011433 Potassium voltage-gated channel subfamily KQT member 4 1
18426954 10.1124/dmd.108.020479 NON-PROTEIN TARGET 1
11909708 10.1016/s0960-894x(02)00101-4 ADMET 1

Data from ChEMBL 36 via Core Engine