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Compound Detail

CHEMBL64360

ENIPORIDE
🧪 Phase II
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🧪 Phase II
Cc1cc(-n2cccc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64360
Name ENIPORIDE
Phase Phase II
Structure Type MOL
InChI Key UADMBZFZZOBWBB-UHFFFAOYSA-N

Known Names

EMD-96785 Eniporida Eniporide
5
Targets
20
Activities
1
Assay Types
6
PK Parameters
20
Publications
3
Known Names

Molecular Properties

320.4
MW (Da)
0.60
ALogP
4
HBA
2
HBD
120.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C14H16N4O3S
MW 320.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.43

Activity Summary

IC50 20 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/hydrogen exchanger 1
CHEMBL2781
 IC50 8.3 7.3814 5.0 7
Sodium/hydrogen exchanger
CHEMBL2096985
 IC50 8.1 8.1 8.0 2
Homo sapiens
CHEMBL372
 IC50 7.5 7.5 32.0 1
Sodium/hydrogen exchanger 2
CHEMBL3133
 IC50 5.7 5.28 2000.0 6
Sodium/hydrogen exchanger 3
CHEMBL3273
 IC50 4.0 4.0 100000.0 3

Pharmacokinetic Data

Parameter Value Units Species
CL 8.2 mL.min-1.kg-1 Homo sapiens
CL 28.0 % Rattus norvegicus
F 65.0 % Rattus norvegicus
MRT 2.3 hr Homo sapiens
MRT 0.4 hr Rattus norvegicus
T1/2 2.2 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium/hydrogen exchanger 1 IC50 = 5.0 nM 8.3 Inhibition of NHE-1 (unknown origin) -
Sodium/hydrogen exchanger 1 IC50 = 5.0 nM 8.3 Inhibition of NHE1 (unknown origin) -
Sodium/hydrogen exchanger 1 IC50 = 5.0 nM 8.3 Inhibition of human NHE1 expressed in chinese hamster AP1 cells preincubated for... -
Sodium/hydrogen exchanger IC50 = 8.0 nM 8.1 Inhibition of 5-N-(ethyl isopropyl)-amiloride[EIPA]-sensitive Na+ uptake into ac... 9207943
Sodium/hydrogen exchanger IC50 = 8.0 nM 8.1 Sodium/hydrogen exchanger antiport activity was measured using [22]Na+ uptake in... 9733499
Homo sapiens IC50 = 32.0 nM 7.5 Concentration to achieve half-maximal inhibition of acid-induced swelling in hum... 9733499
Sodium/hydrogen exchanger 1 IC50 = 80.0 nM 7.1 Inhibition of NHE1 in human Platelet assessed as reduction in 22Na+ uptake 38308950
Sodium/hydrogen exchanger 1 IC50 = 140.0 nM 6.85 In vitro concentration required to inhibit NHE-1 mediated intracellular maximal ... 11277524
Sodium/hydrogen exchanger 1 IC50 = 380.0 nM 6.42 Screened in AP1 cells expressing human NHE-1 for sodium hydrogen exchange activi... 11563929
Sodium/hydrogen exchanger 1 IC50 = 400.0 nM 6.4 Inhibition of human NHE1 expressed in Ap1 cell line 16870436
Sodium/hydrogen exchanger 2 IC50 = 2000.0 nM 5.7 Inhibition of human NHE2 expressed in chinese hamster AP1 cells preincubated for... -
Sodium/hydrogen exchanger 2 IC50 = 2000.0 nM 5.7 Inhibition of NHE-2 (unknown origin) -
Sodium/hydrogen exchanger 2 IC50 = 2000.0 nM 5.7 Inhibition of NHE2 (unknown origin) -
Sodium/hydrogen exchanger 2 IC50 = 9200.0 nM 5.04 In vitro concentration of compound required to inhibit NHE-2 mediated intracellu... 11277524
Sodium/hydrogen exchanger 2 IC50 = 17000.0 nM 4.77 Compound is screened in AP1 cells expressing human NHE-2 for sodium hydrogen exc... 11563929
Sodium/hydrogen exchanger 2 IC50 = 17000.0 nM 4.77 Inhibition of human NHE2 expressed in Ap1 cell line 16870436
Sodium/hydrogen exchanger 3 IC50 = 100000.0 nM 4.0 Inhibition of human NHE3 expressed in chinese hamster AP1 cells preincubated for... -
Sodium/hydrogen exchanger 3 IC50 = 100000.0 nM 4.0 Inhibition of NHE-3 (unknown origin) -
Sodium/hydrogen exchanger 3 IC50 = 100000.0 nM 4.0 Inhibition of NHE3 (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
22803959 10.1021/jm300601d Rattus norvegicus 4
18426954 10.1124/dmd.108.020479 ADMET 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
16870436 10.1016/j.bmcl.2006.06.077 Sodium/hydrogen exchanger 1 1
37300915 10.1016/j.ejmech.2023.115544 Sodium/hydrogen exchanger 1 1
38308950 10.1016/j.ejmech.2024.116170 Sodium/hydrogen exchanger 1 1
- 10.6019/CHEMBL5441142 Schistosoma mansoni 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
16870436 10.1016/j.bmcl.2006.06.077 Unchecked 1
16870436 10.1016/j.bmcl.2006.06.077 Sodium/hydrogen exchanger 2 1
11277524 10.1016/s0960-894x(01)00059-2 Sodium/hydrogen exchanger 1 1
9733499 10.1021/jm981031w Homo sapiens 1
9733499 10.1021/jm981031w Sodium/hydrogen exchanger 1
9207943 10.1021/jm960768n Sodium/hydrogen exchanger 1
11563929 10.1021/jm010100v Sodium/hydrogen exchanger 5 1
11563929 10.1021/jm010100v Sodium/hydrogen exchanger 3 1
11563929 10.1021/jm010100v Sodium/hydrogen exchanger 2 1
11563929 10.1021/jm010100v Sodium/hydrogen exchanger 1 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