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

ID: ALA439356

Chembl Id: CHEMBL439356

PubChem CID: 25077550

Max Phase: Preclinical

Molecular Formula: C66H101N19O15

Molecular Weight: 1400.65

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

Standard InChI:  InChI=1S/C66H101N19O15/c1-7-36(6)54(85-56(92)43(67)30-37-12-18-40(86)19-13-37)64(100)84-51(33-53(69)90)63(99)82-48(28-34(2)3)60(96)81-49(29-35(4)5)61(97)83-50(32-39-16-22-42(88)23-17-39)62(98)78-44(10-8-26-75-65(71)72)57(93)79-46(24-25-52(68)89)59(95)77-45(11-9-27-76-66(73)74)58(94)80-47(55(70)91)31-38-14-20-41(87)21-15-38/h12-23,34-36,43-51,54,86-88H,7-11,24-33,67H2,1-6H3,(H2,68,89)(H2,69,90)(H2,70,91)(H,77,95)(H,78,98)(H,79,93)(H,80,94)(H,81,96)(H,82,99)(H,83,97)(H,84,100)(H,85,92)(H4,71,72,75)(H4,73,74,76)/t36-,43-,44-,45-,46-,47-,48-,49-,50-,51-,54-/m0/s1

Standard InChI Key:  SKEYVOKSDBJYFM-NJDWHJMLSA-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: 1400.65Molecular Weight (Monoisotopic): 1399.7725AlogP: #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