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

ID: ALA383861

Chembl Id: CHEMBL383861

Max Phase: Preclinical

Molecular Formula: C79H123N25O16

Molecular Weight: 1679.01

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](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCN=C(N)N)[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/C79H123N25O16/c1-9-43(7)63(75(119)101-58(35-46-19-25-50(106)26-20-46)70(114)95-54(16-13-31-92-79(87)88)68(112)98-56(32-41(3)4)69(113)94-53(15-12-30-91-78(85)86)67(111)96-55(65(82)109)34-45-17-23-49(105)24-18-45)103-73(117)57(33-42(5)6)99-72(116)61(38-62(81)108)102-76(120)64(44(8)10-2)104-74(118)59(36-47-21-27-51(107)28-22-47)100-71(115)60(37-48-39-89-40-93-48)97-66(110)52(80)14-11-29-90-77(83)84/h17-28,39-44,52-61,63-64,105-107H,9-16,29-38,80H2,1-8H3,(H2,81,108)(H2,82,109)(H,89,93)(H,94,113)(H,95,114)(H,96,111)(H,97,110)(H,98,112)(H,99,116)(H,100,115)(H,101,119)(H,102,120)(H,103,117)(H,104,118)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t43-,44-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,63-,64-/m0/s1

Standard InChI Key:  QQJNMKHCKVPKRL-OQPBHKKJSA-N

Alternative Forms

  1. Parent:

    ALA383861

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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: 1679.01Molecular Weight (Monoisotopic): 1677.9580AlogP: #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