Tyr-Ile-Asn-Leu-Ile-Thr-Arg-Gln-Arg-Tyr-NH2

ID: ALA385245

Chembl Id: CHEMBL385245

PubChem CID: 10464149

Max Phase: Preclinical

Molecular Formula: C61H99N19O15

Molecular Weight: 1338.58

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](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O

Standard InChI:  InChI=1S/C61H99N19O15/c1-8-31(5)47(78-51(87)38(62)27-34-14-18-36(82)19-15-34)57(93)77-44(29-46(64)85)55(91)76-43(26-30(3)4)56(92)79-48(32(6)9-2)58(94)80-49(33(7)81)59(95)74-40(13-11-25-71-61(68)69)52(88)73-41(22-23-45(63)84)54(90)72-39(12-10-24-70-60(66)67)53(89)75-42(50(65)86)28-35-16-20-37(83)21-17-35/h14-21,30-33,38-44,47-49,81-83H,8-13,22-29,62H2,1-7H3,(H2,63,84)(H2,64,85)(H2,65,86)(H,72,90)(H,73,88)(H,74,95)(H,75,89)(H,76,91)(H,77,93)(H,78,87)(H,79,92)(H,80,94)(H4,66,67,70)(H4,68,69,71)/t31-,32-,33+,38-,39-,40-,41-,42-,43-,44-,47-,48-,49-/m0/s1

Standard InChI Key:  ZSPXOUGXONWRQC-IRZQOOFESA-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: 1338.58Molecular Weight (Monoisotopic): 1337.7568AlogP: #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