Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H22ClN3O5S2 |
Molecular Weight | 471.978 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC(=S)NS(=O)(=O)C1=CC(CCNC(=O)C2=CC(Cl)=CC=C2OC)=CC=C1OC
InChI
InChIKey=VXTKXGKPBOLHRY-UHFFFAOYSA-N
InChI=1S/C19H22ClN3O5S2/c1-21-19(29)23-30(25,26)17-10-12(4-6-16(17)28-3)8-9-22-18(24)14-11-13(20)5-7-15(14)27-2/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H2,21,23,29)
Molecular Formula | C19H22ClN3O5S2 |
Molecular Weight | 471.978 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/16047257Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/18708091
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16047257
Curator's Comment: description was created based on several sources, including
https://www.ncbi.nlm.nih.gov/pubmed/18708091
The novel compounds clamikalant (HMR 1883) or its sodium salt HMR 1098) have been shown to block selectively Kir6.2/SUR1-composed K(ATP) channels. Clamikalant is under development by Aventis Pharma (formerly Hoechst Marion Roussel) for the potential treatment of heart arrest and ventricular arrhythmias. Nevertheless, clamikalant and its sodium salt did not pass the clinical trials
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2096972 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21185839 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
Overview
CYP3A4 | CYP2C9 | CYP2D6 | hERG |
---|---|---|---|
Drug as perpetrator​
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
inconclusive [IC50 23.9185 uM] | ||||
no | ||||
yes [IC50 6.7412 uM] |
Drug as victim
Target | Modality | Activity | Metabolite | Clinical evidence |
---|---|---|---|---|
likely | ||||
likely | ||||
major [Km 82 uM] | ||||
no | ||||
yes [Km 233 uM] |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17904545
in rats: 3 mg/kg i.v
Route of Administration:
Intravenous
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/9732411
HMR 1883 (Clamikalant) blocks KATPs in cardiac muscle cells with 10-50 fold higher potency than in pancreatic beta-cells and has little effect on the coronary vascular system. HMR 1883 has pharmacological selectivity for cardiac myocytes and thereby may be a promising substance for the prevention of ischemia-induced ventricular fibrillation. The rilmakalim-induced shortening of the APD90 in guinea pig right papillary muscle was antagonized half-maximally by HMR 1883 with 0.6 uM. The rilmakalim-induced shortening of the APD90 was half-maximally antagonized by HMR 1883 with 0.4 uM. The rilmakalim-induced whole-cell current (at 0 mV clamp-potential) was inhibited by HMR 1883 half-maximally 0.8 uM. Addition of HMR 1883 depolarized the cell potential half-maximally with concentrations of 20 uM.
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:05:10 GMT 2023
by
admin
on
Fri Dec 15 16:05:10 GMT 2023
|
Record UNII |
94301K998R
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Common Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
NCI_THESAURUS |
C47793
Created by
admin on Fri Dec 15 16:05:10 GMT 2023 , Edited by admin on Fri Dec 15 16:05:10 GMT 2023
|
||
|
NCI_THESAURUS |
C93038
Created by
admin on Fri Dec 15 16:05:10 GMT 2023 , Edited by admin on Fri Dec 15 16:05:10 GMT 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
3037766
Created by
admin on Fri Dec 15 16:05:10 GMT 2023 , Edited by admin on Fri Dec 15 16:05:10 GMT 2023
|
PRIMARY | |||
|
300000042683
Created by
admin on Fri Dec 15 16:05:10 GMT 2023 , Edited by admin on Fri Dec 15 16:05:10 GMT 2023
|
PRIMARY | |||
|
94301K998R
Created by
admin on Fri Dec 15 16:05:10 GMT 2023 , Edited by admin on Fri Dec 15 16:05:10 GMT 2023
|
PRIMARY | |||
|
158751-64-5
Created by
admin on Fri Dec 15 16:05:10 GMT 2023 , Edited by admin on Fri Dec 15 16:05:10 GMT 2023
|
PRIMARY | |||
|
DTXSID30166522
Created by
admin on Fri Dec 15 16:05:10 GMT 2023 , Edited by admin on Fri Dec 15 16:05:10 GMT 2023
|
PRIMARY | |||
|
C77831
Created by
admin on Fri Dec 15 16:05:10 GMT 2023 , Edited by admin on Fri Dec 15 16:05:10 GMT 2023
|
PRIMARY | |||
|
CHEMBL12531
Created by
admin on Fri Dec 15 16:05:10 GMT 2023 , Edited by admin on Fri Dec 15 16:05:10 GMT 2023
|
PRIMARY | |||
|
7755
Created by
admin on Fri Dec 15 16:05:10 GMT 2023 , Edited by admin on Fri Dec 15 16:05:10 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
SALT/SOLVATE -> PARENT |
|
||
|
TARGET -> INHIBITOR |
|
||
|
TARGET -> INHIBITOR |
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |
|