oleoyl-L-valinolamide

ID: ALA2324498

Chembl Id: CHEMBL2324498

PubChem CID: 44201124

Max Phase: Preclinical

Molecular Formula: C23H45NO2

Molecular Weight: 367.62

Molecule Type: Small molecule

Names and Identifiers

Synonyms: Oleoyl-L-Valinolamide | Oleoyl-L-Valinolamide|oleoyl-valinol|CHEMBL2324498|SCHEMBL12435697|FCFWNUVBSVWFHR-SSSWZJSRSA-N

Canonical SMILES:  CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)C(C)C

Standard InChI:  InChI=1S/C23H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)24-22(20-25)21(2)3/h11-12,21-22,25H,4-10,13-20H2,1-3H3,(H,24,26)/b12-11-/t22-/m1/s1

Standard InChI Key:  FCFWNUVBSVWFHR-SSSWZJSRSA-N

Alternative Forms

1. Parent:

   

   ALA2324498

   Oleoyl-L-Valinolamide

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 367.62

Molecular Weight (Monoisotopic): 367.3450

AlogP: 6.16

#Rotatable Bonds: 18

Polar Surface Area: 49.33

Molecular Species: NEUTRAL

HBA: 2

HBD: 2

#RO5 Violations: 1

HBA (Lipinski): 3

HBD (Lipinski): 2

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: ┄

CX LogP: 6.81

CX LogD: 6.81

Aromatic Rings: ┄

Heavy Atoms: 26

QED Weighted: 0.23

Np Likeness Score: 0.59

References

1. Avraham Y, Katzhendler J, Vorobeiv L, Merchavia S, Listman C, Kunkes E, Harfoush F, Salameh S, Ezra AF, Grigoriadis NC, Berry EM, Najajreh Y..  (2013)  Novel acylethanolamide derivatives that modulate body weight through enhancement of hypothalamic pro-opiomelanocortin (POMC) and/or decreased neuropeptide Y (NPY).,  56  (5): [PMID:23384387] [10.1021/jm300484d]

Source

Source(1):

• Scientific Literature