Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
DBA5M7
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| Drug Name |
PMX205
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| Synonyms |
PMX 205; 514814-49-4; PMX-205; UNII-DC25O3L7KZ; Hydrocinnamate-(orn-Pro-dcha-Trp-Arg); DC25O3L7KZ; Cyclic hexapeptide complement C5a antagonist; 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[16.3.0]henicosan-3-yl]-3-phenylpropanamide; HC-[OP(D-Cha)WR]; SCHEMBL12971708; CHEBI:144869; LP-16; ZINC95627847; HY-110136; CS-0032991; A16946; hydrocinnamate-cyclo(ornithyl-prolyl-D-cyclohexylalanyl-tryptophyl-arginyl); (5->1)-lactam-N(2)-(1-oxo-3-phenylpropyl)-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-L-arginine; N-[(3R,6S,9S,15S,20aS)-9-(3-carbamimidamidopropyl)-3-(cyclohexylmethyl)-6-(1H-indol-3-ylmethyl)-1,4,7,10,16-pentaoxoicosahydropyrrolo[1,2-a][1,4,7,10,13]pentaazacyclooctadecin-15-yl]-3-phenylpropanamide
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| Drug Type |
Small molecular drug
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| Indication | Central nervous system disease [ICD-11: 8A04-8D87; ICD-10: C71; ICD-9: 191] | Preclinical | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C45H62N10O6
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| Canonical SMILES |
C1CCC(CC1)CC2C(=O)NC(C(=O)NC(C(=O)NCCCC(C(=O)N3CCCC3C(=O)N2)NC(=O)CCC4=CC=CC=C4)CCCN=C(N)N)CC5=CNC6=CC=CC=C65
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| InChI |
1S/C45H62N10O6/c46-45(47)49-24-9-18-34-40(57)48-23-10-19-35(51-39(56)22-21-29-12-3-1-4-13-29)44(61)55-25-11-20-38(55)43(60)54-36(26-30-14-5-2-6-15-30)41(58)53-37(42(59)52-34)27-31-28-50-33-17-8-7-16-32(31)33/h1,3-4,7-8,12-13,16-17,28,30,34-38,50H,2,5-6,9-11,14-15,18-27H2,(H,48,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,46,47,49)/t34-,35-,36+,37-,38-/m0/s1
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| InChIKey |
VATFHFJULBPYLM-ILOBPARPSA-N
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| CAS Number |
CAS 514814-49-4
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:144869
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C5a anaphylatoxin chemotactic receptor (C5AR1) | Target Info | Antagonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Complement and coagulation cascades | ||||
| Staphylococcus aureus infection | ||||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | Complement and Coagulation Cascades | |||
| Human Complement System | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Preclinical Pharmacokinetics of Complement C5a Receptor Antagonists PMX53 and PMX205 in Mice. ACS Omega. 2020 Jan 30;5(5):2345-2354. | |||
| REF 2 | Development and validation of a LC-MS/MS assay for pharmacokinetic studies of complement C5a receptor antagonists PMX53 and PMX205 in mice. Sci Rep. 2018 May 25;8(1):8101. | |||
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