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Compound Detail

CHEMBL436559

CARIPORIDE
🧪 Phase II
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🧪 Phase II
CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL436559
Name CARIPORIDE
Phase Phase II
Structure Type MOL
InChI Key IWXNYAIICFKCTM-UHFFFAOYSA-N

Known Names

Cariporida Cariporide
5
Targets
28
Activities
1
Assay Types
3
PK Parameters
20
Publications
2
Known Names

Molecular Properties

283.4
MW (Da)
0.63
ALogP
3
HBA
2
HBD
115.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 2000

Extended Properties

Molecular Formula C12H17N3O3S
MW 283.35
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.10

Activity Summary

IC50 28 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/hydrogen exchanger
CHEMBL2096985
 IC50 7.58 7.58 26.0 2
Sodium/hydrogen exchanger 1
CHEMBL2781
 IC50 7.52 6.4425 30.0 12
Sodium/hydrogen exchanger 1
CHEMBL2577
 IC50 7.51 7.24 30.7 5
Homo sapiens
CHEMBL372
 IC50 6.93 6.93 117.0 1
Sodium/hydrogen exchanger 2
CHEMBL3133
 IC50 5.37 4.845 4300.0 6

Pharmacokinetic Data

Parameter Value Units Species
CL 82.0 % Rattus norvegicus
F 37.0 % Rattus norvegicus
MRT 0.4 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/hydrogen exchanger IC50 = 26.0 nM 7.58 Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake in... 9733499
Sodium/hydrogen exchanger IC50 = 26.0 nM 7.58 Inhibition of 5-N-(ethyl isopropyl)-amiloride[EIPA]-sensitive Na+ uptake into ac... 9207943
Sodium/hydrogen exchanger 1 IC50 = 30.0 nM 7.52 Inhibition of human NHE1 expressed in chinese hamster AP1 cells preincubated for... -
Sodium/hydrogen exchanger 1 IC50 = 30.0 nM 7.52 Inhibition of NHE-1 (unknown origin) -
Sodium/hydrogen exchanger 1 IC50 = 30.0 nM 7.52 Inhibition of NHE1 (unknown origin) -
Sodium/hydrogen exchanger 1 IC50 = 30.7 nM 7.51 Inhibition of NHE1 in Sprague-Dawley rat assessed as inhibition of acid-induced ... 21724305
Sodium/hydrogen exchanger 1 IC50 = 65.0 nM 7.19 Inhibition of NHE1 in rat platelets by Platelet swelling assay 17346962
Sodium/hydrogen exchanger 1 IC50 = 65.0 nM 7.19 Inhibition of NHE1 in Sprague-Dawley rat platelet-rich plasma by optical swellin... 19482383
Sodium/hydrogen exchanger 1 IC50 = 65.0 nM 7.19 Inhibition of NHE1-mediated rat platelet swelling 19433354
Sodium/hydrogen exchanger 1 IC50 = 75.0 nM 7.12 In vitro inhibition of acid induced swelling in rat platelets by 50% as a measur... 12086486
Homo sapiens IC50 = 117.0 nM 6.93 Concentration to achieve half-maximal inhibition of acid-induced swelling in hum... 9733499
Sodium/hydrogen exchanger 1 IC50 = 172.0 nM 6.76 Inhibition of platelet NHE1 in human platelet rich plasma assessed as decrease i... 27750152
Sodium/hydrogen exchanger 1 IC50 = 200.0 nM 6.7 Inhibition of NHE1 in human Platelet assessed as reduction in 22Na+ uptake 38308950
Sodium/hydrogen exchanger 1 IC50 = 560.0 nM 6.25 In vitro concentration required to inhibit NHE-1 mediated intracellular maximal ... 11277524
Sodium/hydrogen exchanger 1 IC50 = 680.0 nM 6.17 Inhibitory concentration against human sodium/hydrogen exchanger (NHE-1) in PS12... 15914000
Sodium/hydrogen exchanger 1 IC50 = 800.0 nM 6.1 Inhibition of NHE1 in human Platelet assessed as reduction in 22Na+ uptake 38308950
Sodium/hydrogen exchanger 1 IC50 = 1200.0 nM 5.92 Inhibitory activity against Na+/H+ exchanger 1 (NHE-1) expressed in PS120 cells 15828827
Sodium/hydrogen exchanger 1 IC50 = 1200.0 nM 5.92 Inhibition of human NHE1 expressed in PS120 cells 17189690
Sodium/hydrogen exchanger 1 IC50 = 3400.0 nM 5.47 Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activi... 11563929
Sodium/hydrogen exchanger 1 IC50 = 3500.0 nM 5.46 Inhibition of human NHE1 expressed in Ap1 cell line 16870436

Literature References

PubMed DOI Target Context # Activities
19433354 10.1016/j.bmcl.2009.04.079 Rattus norvegicus 7
17493937 10.1074/jbc.m701637200 Unchecked 7
15828827 10.1021/jm0492305 Rattus norvegicus 6
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
22803959 10.1021/jm300601d Rattus norvegicus 4
15914000 10.1016/j.bmcl.2005.04.046 Rattus norvegicus 4
20014752 10.1021/tx900326k Hepatotoxicity 3
17346962 10.1016/j.bmcl.2007.02.035 Rattus norvegicus 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
17189690 10.1016/j.bmcl.2006.12.012 Heart 2
17493937 10.1074/jbc.m701637200 Sodium/hydrogen exchanger 2
19514733 10.1021/jm900296e NON-PROTEIN TARGET 2
38308950 10.1016/j.ejmech.2024.116170 Sodium/hydrogen exchanger 1 2
19482383 10.1016/j.ejmech.2009.04.036 Rattus norvegicus 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
9207943 10.1021/jm960768n Sodium/hydrogen exchanger 1
- 10.6019/CHEMBL5724796 Bromodomain-containing protein 4 1
9733499 10.1021/jm981031w Sodium/hydrogen exchanger 1
11563929 10.1021/jm010100v Sodium/hydrogen exchanger 3 1
11563929 10.1021/jm010100v Sodium/hydrogen exchanger 2 1

Data from ChEMBL 36 via Core Engine