MePhe-Ala-Ala-Ala-Ala-MePhe-NH2

ID: ALA237224

PubChem CID: 23731079

Max Phase: Preclinical

Molecular Formula: C32H45N7O6

Molecular Weight: 623.76

Molecule Type: Protein

This compound is available for customization.

Associated Items:

Names and Identifiers

Canonical SMILES:  CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O

Standard InChI:  InChI=1S/C32H45N7O6/c1-19(35-29(42)21(3)37-31(44)25(34-5)17-23-13-9-7-10-14-23)28(41)36-20(2)30(43)38-22(4)32(45)39(6)26(27(33)40)18-24-15-11-8-12-16-24/h7-16,19-22,25-26,34H,17-18H2,1-6H3,(H2,33,40)(H,35,42)(H,36,41)(H,37,44)(H,38,43)/t19-,20-,21-,22-,25-,26-/m0/s1

Standard InChI Key:  JGYBUXQVWOVQDV-BNCSLUSBSA-N

Molfile:  

     RDKit          2D

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M  END

Alternative Forms

Associated Targets(Human)

Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Intestine (155 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

Biocomponents

Calculated Properties

Molecular Weight: 623.76Molecular Weight (Monoisotopic): 623.3431AlogP: -0.61#Rotatable Bonds: 16
Polar Surface Area: 191.83Molecular Species: NEUTRALHBA: 7HBD: 6
#RO5 Violations: 2HBA (Lipinski): 13HBD (Lipinski): 7#RO5 Violations (Lipinski): 3
CX Acidic pKa: 11.87CX Basic pKa: 8.34CX LogP: -0.10CX LogD: -1.09
Aromatic Rings: 2Heavy Atoms: 45QED Weighted: 0.14Np Likeness Score: 0.14

References

1. Hess S, Ovadia O, Shalev DE, Senderovich H, Qadri B, Yehezkel T, Salitra Y, Sheynis T, Jelinek R, Gilon C, Hoffman A..  (2007)  Effect of structural and conformation modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability.,  50  (24): [PMID:17983214] [10.1021/jm070836d]

Source