Asn-Leu-Ile-Tyr-Arg-Leu-Arg-Tyr-NH2

ID: ALA428097

Chembl Id: CHEMBL428097

PubChem CID: 10057032

Max Phase: Preclinical

Molecular Formula: C52H84N16O11

Molecular Weight: 1109.34

Molecule Type: Protein

Associated Items:

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

Standard InChI:  InChI=1S/C52H84N16O11/c1-7-29(6)42(68-49(78)39(23-28(4)5)65-44(73)34(53)26-41(54)71)50(79)67-40(25-31-14-18-33(70)19-15-31)48(77)63-36(11-9-21-61-52(58)59)46(75)66-38(22-27(2)3)47(76)62-35(10-8-20-60-51(56)57)45(74)64-37(43(55)72)24-30-12-16-32(69)17-13-30/h12-19,27-29,34-40,42,69-70H,7-11,20-26,53H2,1-6H3,(H2,54,71)(H2,55,72)(H,62,76)(H,63,77)(H,64,74)(H,65,73)(H,66,75)(H,67,79)(H,68,78)(H4,56,57,60)(H4,58,59,61)/t29-,34-,35-,36-,37-,38-,39-,40-,42-/m0/s1

Standard InChI Key:  PXAANFHGWQBXQR-ZSBWQBSESA-N

Alternative Forms

Associated Targets(non-human)

Npy2r Neuropeptide Y receptor type 2 (63 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: ProteinTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 1109.34Molecular Weight (Monoisotopic): 1108.6505AlogP: #Rotatable Bonds:
Polar Surface Area: Molecular Species: HBA: HBD:
#RO5 Violations: HBA (Lipinski): HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: CX LogD:
Aromatic Rings: Heavy Atoms: QED Weighted: Np Likeness Score:

References

1. Leban JJ, Heyer D, Landavazo A, Matthews J, Aulabaugh A, Daniels AJ..  (1995)  Novel modified carboxy terminal fragments of neuropeptide Y with high affinity for Y2-type receptors and potent functional antagonism at a Y1-type receptor.,  38  (7): [PMID:7707318] [10.1021/jm00007a012]

Source