The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
(E)-N-Adamantan-1-yl-3-(3,4-dihydroxy-phenyl)-acrylamide ID: ALA3327354
Chembl Id: CHEMBL3327354
PubChem CID: 24783501
Max Phase: Preclinical
Molecular Formula: C19H23NO3
Molecular Weight: 313.40
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(/C=C/c1ccc(O)c(O)c1)NC12CC3CC(CC(C3)C1)C2
Standard InChI: InChI=1S/C19H23NO3/c21-16-3-1-12(8-17(16)22)2-4-18(23)20-19-9-13-5-14(10-19)7-15(6-13)11-19/h1-4,8,13-15,21-22H,5-7,9-11H2,(H,20,23)/b4-2+
Standard InChI Key: STPICOLLCIHTBM-DUXPYHPUSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 313.40Molecular Weight (Monoisotopic): 313.1678AlogP: 3.20#Rotatable Bonds: 3Polar Surface Area: 69.56Molecular Species: NEUTRALHBA: 3HBD: 3#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.22CX Basic pKa: ┄CX LogP: 3.04CX LogD: 3.03Aromatic Rings: 1Heavy Atoms: 23QED Weighted: 0.59Np Likeness Score: 0.12
References 1. Chen HZ, Chen YB, Lv YP, Zeng F, Zhang J, Zhou YL, Li HB, Chen LF, Zhou BJ, Gao JR, Xia CN.. (2014) Synthesis and antitumor activity of feruloyl and caffeoyl derivatives., 24 (18): [PMID:25160837 ] [10.1016/j.bmcl.2014.08.024 ]