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6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-3-amine ID: ALA5191872
Chembl Id: CHEMBL5191872
PubChem CID: 168289848
Max Phase: Preclinical
Molecular Formula: C17H23N3O2
Molecular Weight: 301.39
Associated Items:
Names and Identifiers Canonical SMILES: COc1cc2cc(N)cnc2cc1OCCCN1CCCC1
Standard InChI: InChI=1S/C17H23N3O2/c1-21-16-10-13-9-14(18)12-19-15(13)11-17(16)22-8-4-7-20-5-2-3-6-20/h9-12H,2-8,18H2,1H3
Standard InChI Key: IIBHWWPTPAITJL-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: 301.39Molecular Weight (Monoisotopic): 301.1790AlogP: 2.69#Rotatable Bonds: 6Polar Surface Area: 60.61Molecular Species: BASEHBA: 5HBD: 1#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 9.20CX LogP: 1.47CX LogD: -0.33Aromatic Rings: 2Heavy Atoms: 22QED Weighted: 0.83Np Likeness Score: -1.00
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 ]