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

ID: ALA386822

Chembl Id: CHEMBL386822

Max Phase: Preclinical

Molecular Formula: C73H118N26O17

Molecular Weight: 1631.91

Molecule Type: Protein

Associated Items:

Names and Identifiers

Canonical SMILES:  CC[C@H](C)[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(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](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)[C@@H](C)CC

Standard InChI:  InChI=1S/C73H118N26O17/c1-8-37(5)56(97-67(113)51(31-41-18-22-44(102)23-19-41)95-64(110)52(32-42-34-84-35-88-42)93-60(106)45(74)13-10-26-85-71(78)79)68(114)96-53(33-55(76)104)65(111)94-50(29-36(3)4)66(112)98-57(38(6)9-2)69(115)99-58(39(7)100)70(116)91-47(15-12-28-87-73(82)83)61(107)90-48(24-25-54(75)103)63(109)89-46(14-11-27-86-72(80)81)62(108)92-49(59(77)105)30-40-16-20-43(101)21-17-40/h16-23,34-39,45-53,56-58,100-102H,8-15,24-33,74H2,1-7H3,(H2,75,103)(H2,76,104)(H2,77,105)(H,84,88)(H,89,109)(H,90,107)(H,91,116)(H,92,108)(H,93,106)(H,94,111)(H,95,110)(H,96,114)(H,97,113)(H,98,112)(H,99,115)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t37-,38-,39+,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-,57-,58-/m0/s1

Standard InChI Key:  JNIOGSKLSXEKET-SLGYEJOLSA-N

Alternative Forms

  1. Parent:

    ALA386822

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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: 1631.91Molecular Weight (Monoisotopic): 1630.9168AlogP: #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