2-(N-cyclohexyl-2-(2-(3,4-dimethoxyphenyl)oxazol-4-yl)acetamido)-N-cyclopentylpropanamide

ID: ALA3427474

Chembl Id: CHEMBL3427474

PubChem CID: 53393839

Max Phase: Preclinical

Molecular Formula: C27H37N3O5

Molecular Weight: 483.61

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Canonical SMILES:  COc1ccc(-c2nc(CC(=O)N(C3CCCCC3)C(C)C(=O)NC3CCCC3)co2)cc1OC

Standard InChI:  InChI=1S/C27H37N3O5/c1-18(26(32)28-20-9-7-8-10-20)30(22-11-5-4-6-12-22)25(31)16-21-17-35-27(29-21)19-13-14-23(33-2)24(15-19)34-3/h13-15,17-18,20,22H,4-12,16H2,1-3H3,(H,28,32)

Standard InChI Key:  XJAGIPUOPSDVMZ-UHFFFAOYSA-N

Associated Targets(non-human)

Scarb1 Scavenger receptor class B member 1 (349 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: 483.61Molecular Weight (Monoisotopic): 483.2733AlogP: 4.51#Rotatable Bonds: 9
Polar Surface Area: 93.90Molecular Species: NEUTRALHBA: 6HBD: 1
#RO5 Violations: HBA (Lipinski): 8HBD (Lipinski): 1#RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: 3.91CX LogD: 3.91
Aromatic Rings: 2Heavy Atoms: 35QED Weighted: 0.56Np Likeness Score: -1.07

References

1. Dockendorff C, Faloon PW, Germain A, Yu M, Youngsaye W, Nag PP, Bennion M, Penman M, Nieland TJ, Dandapani S, Perez JR, Munoz B, Palmer MA, Schreiber SL, Krieger M..  (2015)  Discovery of bisamide-heterocycles as inhibitors of scavenger receptor BI (SR-BI)-mediated lipid uptake.,  25  (12): [PMID:25958245] [10.1016/j.bmcl.2015.03.074]

Source