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Compound Detail

CHEMBL355862

ZONIPORIDE
🧪 Phase II
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🧪 Phase II
N=C(N)NC(=O)c1cnn(-c2cccc3ncccc23)c1C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355862
Name ZONIPORIDE
Phase Phase II
Structure Type MOL
InChI Key GDXBRVCQGGKXJY-UHFFFAOYSA-N

Known Names

Zoniporida Zoniporide
2
Targets
9
Activities
1
Assay Types
23
PK Parameters
20
Publications
2
Known Names

Molecular Properties

320.4
MW (Da)
1.92
ALogP
5
HBA
3
HBD
109.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 2000

Extended Properties

Molecular Formula C17H16N6O
MW 320.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.42

Activity Summary

IC50 9 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/hydrogen exchanger 1
CHEMBL2781
 IC50 7.23 7.23 59.0 5
Sodium/hydrogen exchanger 2
CHEMBL3133
 IC50 4.92 4.92 12000.0 4

Pharmacokinetic Data

Parameter Value Units Species
AUC 70.0 ng.hr.mL-1 Rattus norvegicus
AUC 450.0 ng.hr.mL-1 Canis lupus familiaris
AUC 23.2 ng.hr.mL-1 Cavia porcellus
AUC 74.4 ng.hr.mL-1 Rattus norvegicus
AUC 22.2 ng.hr.mL-1 Cavia porcellus
AUC 19.7 ng.hr.mL-1 Rattus norvegicus
CL 237.0 mL.min-1.kg-1 Rattus norvegicus
CL 40.0 mL.min-1.kg-1 Canis lupus familiaris
CL 105.0 % Rattus norvegicus
CL 21.0 mL.min-1.kg-1 Homo sapiens
Cmax 82.72 nM Cavia porcellus
Cmax 77.1 nM Rattus norvegicus
F 5.0 % Rattus norvegicus
Fu 0.34 - Homo sapiens
MRT 0.6 hr Rattus norvegicus
T1/2 0.5 hr Rattus norvegicus
T1/2 0.9 hr Canis lupus familiaris
T1/2 0.3467 hr Homo sapiens
T1/2 0.5 hr Cavia porcellus
T1/2 0.4 hr Rattus norvegicus
T1/2 0.5 hr Cavia porcellus
T1/2 0.3 hr Rattus norvegicus
T1/2 0.4333 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/hydrogen exchanger 1 IC50 = 59.0 nM 7.23 In vitro concentration required to inhibit NHE-1 mediated intracellular maximal ... 11277524
Sodium/hydrogen exchanger 1 IC50 = 59.0 nM 7.23 Inhibition of human NHE1 expressed in chinese hamster AP1 cells preincubated for... -
Sodium/hydrogen exchanger 1 IC50 = 59.0 nM 7.23 Inhibition of NHE-1 (unknown origin) -
Sodium/hydrogen exchanger 1 IC50 = 59.0 nM 7.23 Inhibition of NHE1 (unknown origin) -
Sodium/hydrogen exchanger 1 IC50 = 59.0 nM 7.23 Inhibition of NHE1 in human Platelet assessed as change in intracellular pH by p... 38308950
Sodium/hydrogen exchanger 2 IC50 = 12000.0 nM 4.92 In vitro concentration of compound required to inhibit NHE-2 mediated intracellu... 11277524
Sodium/hydrogen exchanger 2 IC50 = 12000.0 nM 4.92 Inhibition of human NHE2 expressed in chinese hamster AP1 cells preincubated for... -
Sodium/hydrogen exchanger 2 IC50 = 12000.0 nM 4.92 Inhibition of NHE-2 (unknown origin) -
Sodium/hydrogen exchanger 2 IC50 = 12000.0 nM 4.92 Inhibition of NHE2 (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
11277524 10.1016/s0960-894x(01)00059-2 Rattus norvegicus 6
11277524 10.1016/s0960-894x(01)00059-2 Canis familiaris 6
22190693 10.1124/dmd.111.042770 Cavia porcellus 5
22190693 10.1124/dmd.111.042770 Rattus norvegicus 5
22803959 10.1021/jm300601d Rattus norvegicus 4
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
24900568 10.1021/ml300309h ADMET 2
22587988 10.1124/dmd.112.045823 Aldehyde oxidase 2
22522748 10.1124/dmd.112.045195 Aldehyde oxidase 2
31385704 10.1021/acs.jmedchem.9b00875 Aldehyde oxidase 1 2
31385704 10.1021/acs.jmedchem.9b00875 Aldehyde oxidase 2
38308950 10.1016/j.ejmech.2024.116170 Sodium/hydrogen exchanger 1 1
11277524 10.1016/s0960-894x(01)00059-2 Sodium/hydrogen exchanger 1 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
24900568 10.1021/ml300309h Plasma 1
24900568 10.1021/ml300309h Homo sapiens 1
11277524 10.1016/s0960-894x(01)00059-2 Unchecked 1
11277524 10.1016/s0960-894x(01)00059-2 Sodium/hydrogen exchanger 2 1

Data from ChEMBL 36 via Core Engine