N-[2-(4-Amino-phenyl)-1-phenyl-ethyl]-2,2-diphenyl-acetamide

ID: ALA41233

Chembl Id: CHEMBL41233

PubChem CID: 9953161

Max Phase: Preclinical

Molecular Formula: C28H26N2O

Molecular Weight: 406.53

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  Nc1ccc(CC(NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)cc1

Standard InChI:  InChI=1S/C28H26N2O/c29-25-18-16-21(17-19-25)20-26(22-10-4-1-5-11-22)30-28(31)27(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19,26-27H,20,29H2,(H,30,31)

Standard InChI Key:  AKYQUIAWRGDGCP-UHFFFAOYSA-N

Associated Targets(Human)

SOAT1 Tchem Acyl coenzyme A:cholesterol acyltransferase 1 (857 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Soat1 Acyl coenzyme A:cholesterol acyltransferase 1 (2344 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cricetinae gen. sp. (3197 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SOAT1 Sterol O-acyltransferase 1 (43 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Syrian golden hamster (1610 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: 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: 406.53Molecular Weight (Monoisotopic): 406.2045AlogP: 5.50#Rotatable Bonds: 7
Polar Surface Area: 55.12Molecular Species: NEUTRALHBA: 2HBD: 2
#RO5 Violations: 1HBA (Lipinski): 3HBD (Lipinski): 3#RO5 Violations (Lipinski): 1
CX Acidic pKa: 13.99CX Basic pKa: 4.29CX LogP: 5.67CX LogD: 5.67
Aromatic Rings: 4Heavy Atoms: 31QED Weighted: 0.40Np Likeness Score: -0.46

References

1. Clader JW, Berger JG, Burrier RE, Davis HR, Domalski M, Dugar S, Kogan TP, Salisbury B, Vaccaro W..  (1995)  Substituted (1,2-diarylethyl)amide acyl-CoA:cholesterol acyltransferase inhibitors: effect of polar groups on in vitro and in vivo activity.,  38  (10): [PMID:7752185] [10.1021/jm00010a004]
2. Clader JW, Berger JG, Burrier RE, Davis HR, Domalski M, Dugar S, Kogan TP, Salisbury B, Vaccaro W..  (1995)  Substituted (1,2-diarylethyl)amide acyl-CoA:cholesterol acyltransferase inhibitors: effect of polar groups on in vitro and in vivo activity.,  38  (10): [PMID:7752185] [10.1021/jm00010a004]
3. Clader JW, Berger JG, Burrier RE, Davis HR, Domalski M, Dugar S, Kogan TP, Salisbury B, Vaccaro W..  (1995)  Substituted (1,2-diarylethyl)amide acyl-CoA:cholesterol acyltransferase inhibitors: effect of polar groups on in vitro and in vivo activity.,  38  (10): [PMID:7752185] [10.1021/jm00010a004]
4. Itzhak Y, Kalir A, Weissman BA, Cohen S..  (1981)  New analgesic drugs derived from phencyclidine.,  24  (5): [PMID:7241506] [10.1021/jm00137a004]
5. Bhattacharjee P, Rutland N, Iyer MR..  (2022)  Targeting Sterol O-Acyltransferase/Acyl-CoA:Cholesterol Acyltransferase (ACAT): A Perspective on Small-Molecule Inhibitors and Their Therapeutic Potential.,  65  (24.0): [PMID:36473091] [10.1021/acs.jmedchem.2c01265]
6. Bhattacharjee P, Rutland N, Iyer MR..  (2022)  Targeting Sterol O-Acyltransferase/Acyl-CoA:Cholesterol Acyltransferase (ACAT): A Perspective on Small-Molecule Inhibitors and Their Therapeutic Potential.,  65  (24.0): [PMID:36473091] [10.1021/acs.jmedchem.2c01265]
7. Bhattacharjee P, Rutland N, Iyer MR..  (2022)  Targeting Sterol O-Acyltransferase/Acyl-CoA:Cholesterol Acyltransferase (ACAT): A Perspective on Small-Molecule Inhibitors and Their Therapeutic Potential.,  65  (24.0): [PMID:36473091] [10.1021/acs.jmedchem.2c01265]

Source