Drug General Information
Drug ID
D00HAJ
Former ID
DNC006887
Drug Name
Hoo-Phe-Orn-Pro-hle-Pff-Phe-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528343]
Structure
Download
2D MOL

3D MOL

Formula
C49H63FN10O9
Canonical SMILES
CC(C)CCC(C(=O)NC(CC1=CC=C(C=C1)F)C(=O)NC(CC2=CC=CC=C2)C<br />(=O)N)NC(=O)C3CCCN3C(=O)C(CCCN)NC(=O)C(CC4=CC=CC=C4)NC(<br />=O)C5CC(=O)NC(=O)N5
InChI
1S/C49H63FN10O9/c1-29(2)17-22-34(43(63)56-38(27-32-18-20-33(50)21-19-32)45(65)55-36(42(52)62)25-30-11-5-3-6-12-30)53-47(67)40-16-10-24-60(40)48(68)35(15-9-23-51)54-44(64)37(26-31-13-7-4-8-14-31)57-46(66)39-28-41(61)59-49(69)58-39/h3-8,11-14,18-21,29,34-40H,9-10,15-17,22-28,51H2,1-2H3,(H2,52,62)(H,53,67)(H,54,64)(H,55,65)(H,56,63)(H,57,66)(H2,58,59,61,69)/t34-,35-,36+,37-,38-,39-,40?/m0/s1
InChIKey
HXKFHHNEFCZKPG-XRBZTNMESA-N
PubChem Compound ID
Target and Pathway
Target(s) NK-2 receptor Target Info Inhibitor [528343]
Vasopressin V1a receptor Target Info Inhibitor [528343]
Melanocortin-4 receptor Target Info Inhibitor [528343]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interactionhsa04020:Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contractionhsa04080:Neuroactive ligand-receptor interaction
Pathway Interaction Database Syndecan-3-mediated signaling events
Reactome G alpha (q) signalling eventsR-HSA-388479:Vasopressin-like receptors
G alpha (q) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (s) signalling events
WikiPathways Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
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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