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4-(azetidin-1-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinoline ID: ALA5184153
Chembl Id: CHEMBL5184153
PubChem CID: 168282971
Max Phase: Preclinical
Molecular Formula: C20H27N3O2
Molecular Weight: 341.46
Associated Items:
Names and Identifiers Canonical SMILES: COc1cc2c(N3CCC3)ccnc2cc1OCCCN1CCCC1
Standard InChI: InChI=1S/C20H27N3O2/c1-24-19-14-16-17(21-7-6-18(16)23-11-4-12-23)15-20(19)25-13-5-10-22-8-2-3-9-22/h6-7,14-15H,2-5,8-13H2,1H3
Standard InChI Key: KPQHWZRUQMETCZ-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: 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: 341.46Molecular Weight (Monoisotopic): 341.2103AlogP: 3.32#Rotatable Bonds: 7Polar Surface Area: 37.83Molecular Species: BASEHBA: 5HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 9.29CX LogP: 2.30CX LogD: -0.48Aromatic Rings: 2Heavy Atoms: 25QED Weighted: 0.72Np Likeness Score: -1.09
References 1. Randazzo P, Sinisi R, Gornati D, Bertuolo S, Bencheva L, De Matteo M, Nibbio M, Monteagudo E, Turcano L, Bianconi V, Peruzzi G, Summa V, Bresciani A, Mozzetta C, Di Fabio R.. (2022) Identification and in vitro characterization of a new series of potent and highly selective G9a inhibitors as novel anti-fibroadipogenic agents., 72 [PMID:35718104 ] [10.1016/j.bmcl.2022.128858 ]