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

ID: ALA385246

Chembl Id: CHEMBL385246

PubChem CID: 25080967

Max Phase: Preclinical

Molecular Formula: C66H100N18O14

Molecular Weight: 1369.64

Molecule Type: Protein

Associated Items:

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](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)[C@@H](C)CC

Standard InChI:  InChI=1S/C66H100N18O14/c1-7-36(5)53(82-56(90)44(67)31-38-15-21-41(85)22-16-38)63(97)81-50(34-52(68)88)64(98)84-29-11-14-51(84)61(95)83-54(37(6)8-2)62(96)80-49(33-40-19-25-43(87)26-20-40)60(94)77-46(13-10-28-75-66(72)73)58(92)79-48(30-35(3)4)59(93)76-45(12-9-27-74-65(70)71)57(91)78-47(55(69)89)32-39-17-23-42(86)24-18-39/h15-26,35-37,44-51,53-54,85-87H,7-14,27-34,67H2,1-6H3,(H2,68,88)(H2,69,89)(H,76,93)(H,77,94)(H,78,91)(H,79,92)(H,80,96)(H,81,97)(H,82,90)(H,83,95)(H4,70,71,74)(H4,72,73,75)/t36-,37-,44-,45-,46-,47-,48-,49-,50-,51-,53-,54-/m0/s1

Standard InChI Key:  HWKQHYIJZLPGRU-MQLZAKMNSA-N

Alternative Forms

Associated Targets(Human)

HEL (6614 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

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: 1369.64Molecular Weight (Monoisotopic): 1368.7666AlogP: #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