Drug Information

Drug General Information
Drug ID
D0G2XE
Former ID
DIB001897
Drug Name
PMX-53
Synonyms
AcF-[OP(D-Cha)WR]; N-Acetyl-L-phenylalanyl-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-D-arginine N-5.2-C-1.6-lactam
Drug Type
Small molecular drug
Indication Atopic dermatitis [ICD9: 691.8, 692.9; ICD10:L00-L99] Phase 2 [531408], [541109]
Structure
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2D MOL

3D MOL
Formula
C47H65N11O7
InChI
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
InChIKey
YOKBGCTZYPOSQM-HPSWDUTRSA-N
CAS Number
CAS 219639-70-0
PubChem Compound ID
6918468
PubChem Substance ID
12015321, 14889677, 14889678, 43529838, 57371945, 80078611, 103217522, 104006052, 114788020, 134344093, 137759262, 178100219, 237979854, 244786538
Target and Pathway
Target(s) C5aR Target Info Modulator
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
Ref 531408PMX-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 541109(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).

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