Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07MKL
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| Former ID |
DNC009987
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| Drug Name |
ABT-229
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| Synonyms |
Alemcinal; ABT-229; UNII-5DS173ODI4; 5DS173ODI4; ABBOTT-81229.0; 150785-53-8; A-81229; Alemcinal (USAN/INN); CHEMBL300049; ABT229; GTPL1444; BDBM86685; ABT 229; D02801; 8,9-didehydro-N-demethyl-9-deoxo-4', 6, 12-trideoxy-6,9-epoxy-N-ethylerythromycin
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| Drug Type |
Small molecular drug
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| Indication | Pain [ICD-11: MG30-MG3Z] | Phase 2 | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C38H67NO10
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| Canonical SMILES |
CCC1C(C(C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(CC(O3)C)(C)OC)C)OC4C(C(CC(O4)C)N(C)CC)O)C)C)C)O)C
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| InChI |
1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1
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| InChIKey |
IWTSXJNGTTXMFK-KTQUSEMZSA-N
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| CAS Number |
CAS 150785-53-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Voltage-gated potassium channel Kv11.1 (KCNH2) | Target Info | Inhibitor | [3] |
| Pathwhiz Pathway | Muscle/Heart Contraction | |||
| Reactome | Voltage gated Potassium channels | |||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Hematopoietic Stem Cell Differentiation | ||||
| Potassium Channels | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1444). | |||
| REF 2 | GSK962040: a small molecule, selective motilin receptor agonist, effective as a stimulant of human and rabbit gastrointestinal motility. Neurogastroenterol Motil. 2009 Jun;21(6):657-64, e30-1. | |||
| REF 3 | 9-Dihydroerythromycin ethers as motilin agonists--developing structure-activity relationships for potency and safety. Bioorg Med Chem. 2010 Nov 1;18(21):7651-8. | |||
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