The store will not work correctly when cookies are disabled.
5-Chloro-7-(morpholin-4-yl-pyridin-2-yl-methyl)-quinolin-8-ol
ID: ALA4483425
Chembl Id: CHEMBL4483425
Cas Number: 622792-23-8
PubChem CID: 4179039
Max Phase: Preclinical
Molecular Formula: C19H18ClN3O2
Molecular Weight: 355.83
Molecule Type: Unknown
Associated Items:
Names and Identifiers
Canonical SMILES: Oc1c(C(c2ccccn2)N2CCOCC2)cc(Cl)c2cccnc12
Standard InChI: InChI=1S/C19H18ClN3O2/c20-15-12-14(19(24)17-13(15)4-3-7-22-17)18(16-5-1-2-6-21-16)23-8-10-25-11-9-23/h1-7,12,18,24H,8-11H2
Standard InChI Key: IVBVBQKSDVSGEA-UHFFFAOYSA-N
Associated Targets(Human)
Molecule Features
Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
Chirality: No | Availability: No | Prodrug: 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: 355.83 | Molecular Weight (Monoisotopic): 355.1088 | AlogP: 3.41 | #Rotatable Bonds: 3 |
Polar Surface Area: 58.48 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
#RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: 7.55 | CX Basic pKa: 5.97 | CX LogP: 2.79 | CX LogD: 2.69 |
Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.78 | Np Likeness Score: -1.43 |
References
1. (2012) Novel Quinoline-Hepcidine Antagonists, |
2. Pape VFS, Palkó R, Tóth S, Szabó MJ, Sessler J, Dormán G, Enyedy ÉA, Soós T, Szatmári I, Szakács G.. (2022) Structure-Activity Relationships of 8-Hydroxyquinoline-Derived Mannich Bases with Tertiary Amines Targeting Multidrug-Resistant Cancer., 65 (11.0): [PMID:35613553] [10.1021/acs.jmedchem.2c00076] |