Drug Information

Drug General Information
Drug ID
D0H8YV
Former ID
DNC006888
Drug Name
Ac-Phe-[Orn-Pro-cha-Trp-Arg]
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528343]
Structure
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2D MOL

3D MOL
Formula
C47H65N11O7
Canonical SMILES
CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCNC(=O)C(NC(=O)C(NC(=O)<br />C(NC(=O)C3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C<br />(N)N
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
PubChem Compound ID
6918468
Target and Pathway
Target(s) Nociceptin receptor Target Info Inhibitor [528343]
Melanocortin-4 receptor Target Info Inhibitor [528343]
Cytochrome P450 3A4 Target Info Inhibitor [528343]
NK-2 receptor Target Info Inhibitor [528343]
Vasopressin V1a receptor Target Info Inhibitor [528343]
KEGG Pathway Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interactionhsa00140:Steroid hormone biosynthesis
Linoleic acid metabolism
Retinol metabolism
Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Drug metabolism - other enzymes
Metabolic pathways
Bile secretion
Chemical carcinogenesishsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Pathway Interaction Database Syndecan-3-mediated signaling events
PathWhiz Pathway Caffeine Metabolism
Retinol Metabolism
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (s) signalling eventsR-HSA-211981:Xenobiotics
Aflatoxin activation and detoxificationR-HSA-416476:G alpha (q) signalling eventsR-HSA-388479:Vasopressin-like receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP702:Metapathway biotransformation
Aflatoxin B1 metabolism
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Vitamin D Receptor Pathway
Felbamate Metabolism
Lidocaine metabolism
Nifedipine Activity
Colchicine Metabolic Pathway
Irinotecan Pathway
Drug Induction of Bile Acid Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine MetabolismWP2664:Gastrin-CREB signalling pathway via PKC and MAPK
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR downstream signaling
References
Ref 528343Bioorg Med Chem Lett. 2006 Oct 1;16(19):5088-92. Epub 2006 Jul 28.Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivoactivity.
Ref 528343Bioorg Med Chem Lett. 2006 Oct 1;16(19):5088-92. Epub 2006 Jul 28.Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivoactivity.

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