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

ID: ALA269515

Chembl Id: CHEMBL269515

PubChem CID: 25085171

Max Phase: Preclinical

Molecular Formula: C67H104N18O14

Molecular Weight: 1385.68

Molecule Type: Protein

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](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/C67H104N18O14/c1-9-37(7)54(84-57(91)45(68)31-39-15-21-42(86)22-16-39)64(98)83-52(34-53(69)89)62(96)81-50(30-36(5)6)63(97)85-55(38(8)10-2)65(99)82-51(33-41-19-25-44(88)26-20-41)61(95)78-47(14-12-28-76-67(73)74)59(93)80-49(29-35(3)4)60(94)77-46(13-11-27-75-66(71)72)58(92)79-48(56(70)90)32-40-17-23-43(87)24-18-40/h15-26,35-38,45-52,54-55,86-88H,9-14,27-34,68H2,1-8H3,(H2,69,89)(H2,70,90)(H,77,94)(H,78,95)(H,79,92)(H,80,93)(H,81,96)(H,82,99)(H,83,98)(H,84,91)(H,85,97)(H4,71,72,75)(H4,73,74,76)/t37-,38-,45-,46-,47-,48-,49-,50-,51-,52-,54-,55-/m0/s1

Standard InChI Key:  JCHUTLABOBVZOS-PLDVBQKESA-N

Alternative Forms

1. Parent:

   

   ALA269515

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

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1385.68

Molecular Weight (Monoisotopic): 1384.7979

AlogP: ┄

#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]

2. PubChem BioAssay data set, 

Source

Source(2):

• Scientific Literature
• PubChem BioAssays