Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0G2XE
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| Former ID |
DIB001897
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| Drug Name |
PMX-53
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| Synonyms |
YOKBGCTZYPOSQM-HPSWDUTRSA-N; PMX53; CHEMBL41547; (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[1630]henicosan-3-yl]-3-phenylpropanamide; PMX 53; AcF-[OP(D-Cha)WR]; Ac-Phe-[Orn-Pro-cha-Trp-Arg]; C5aR-AP; AC1OCFH0; GTPL579; SCHEMBL16492460; SCHEMBL12971688; 219639-75-5; BDBM50111445; AcF-[OP(D-Cha)WR]; N-Acetyl-L-phenylalanyl-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-D-arginine N-52-C-16-lactam
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| Drug Type |
Small molecular drug
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| Indication | Atopic dermatitis [ICD-11: EA80; ICD-10: L20; ICD-9: 691.8, 692.9] | Phase 2 | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C47H65N11O7
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| Canonical SMILES |
CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)N
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| InChI |
1S/C47H65N11O7/c1-29(59)53-37(25-30-13-4-2-5-14-30)42(61)55-36-20-11-22-50-41(60)35(19-10-23-51-47(48)49)54-44(63)39(27-32-28-52-34-18-9-8-17-33(32)34)56-43(62)38(26-31-15-6-3-7-16-31)57-45(64)40-21-12-24-58(40)46(36)65/h2,4-5,8-9,13-14,17-18,28,31,35-40,52H,3,6-7,10-12,15-16,19-27H2,1H3,(H,50,60)(H,53,59)(H,54,63)(H,55,61)(H,56,62)(H,57,64)(H4,48,49,51)/t35-,36-,37-,38+,39-,40-/m0/s1
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| InChIKey |
YOKBGCTZYPOSQM-HPSWDUTRSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
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| 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: 579). | |||
| REF 2 | PMX-53 as a dual CD88 antagonist and an agonist for Mas-related gene 2 (MrgX2) in human mast cells. Mol Pharmacol. 2011 Jun;79(6):1005-13. | |||
| REF 3 | Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivo activity. Bioorg Med Chem Lett. 2006 Oct 1;16(19):5088-92. | |||
| REF 4 | Company report (Arana Therapeutics) | |||
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