Methyl dibenzyl-L-phenylalaninate

ID: ALA5205458

Cas Number: 184774-09-2

PubChem CID: 15297227

Max Phase: Preclinical

Molecular Formula: C24H25NO2

Molecular Weight: 359.47

This compound is available for customization.

Associated Items:

Names and Identifiers

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

Standard InChI:  InChI=1S/C24H25NO2/c1-27-24(26)23(17-20-11-5-2-6-12-20)25(18-21-13-7-3-8-14-21)19-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3/t23-/m0/s1

Standard InChI Key:  WPCLKDGMKGQLPX-QHCPKHFHSA-N

Molfile:  

 
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M  END

Alternative Forms

Associated Targets(Human)

TRPV1 Tclin Vanilloid receptor (8273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: 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: 359.47Molecular Weight (Monoisotopic): 359.1885AlogP: 4.47#Rotatable Bonds: 8
Polar Surface Area: 29.54Molecular Species: NEUTRALHBA: 3HBD:
#RO5 Violations: HBA (Lipinski): 3HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 6.80CX LogP: 5.49CX LogD: 5.39
Aromatic Rings: 3Heavy Atoms: 27QED Weighted: 0.56Np Likeness Score: -0.26

References

1. Di Sarno V, Giovannelli P, Medina-Peris A, Ciaglia T, Di Donato M, Musella S, Lauro G, Vestuto V, Smaldone G, Di Matteo F, Bifulco G, Castoria G, Migliaccio A, Fernandez-Carvajal A, Campiglia P, Gomez-Monterrey I, Ostacolo C, Bertamino A..  (2022)  New TRPM8 blockers exert anticancer activity over castration-resistant prostate cancer models.,  238  [PMID:35598411] [10.1016/j.ejmech.2022.114435]

Source