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ID: ALA3249165
Max Phase: Preclinical
Molecular Formula: C22H28N2O2
Molecular Weight: 352.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)CCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1
Standard InChI: InChI=1S/C22H28N2O2/c1-23(2)15-16-24-14-13-22(26,19-11-7-4-8-12-19)20(17-24)21(25)18-9-5-3-6-10-18/h3-12,20,26H,13-17H2,1-2H3
Standard InChI Key: OBPVGZCQIXQUBB-UHFFFAOYSA-N
Associated Targets(non-human)
Heart 171 Activities
Canis familiaris 36305 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
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Mechanisms of Action
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Properties
| Molecular Weight: 352.48 | Molecular Weight (Monoisotopic): 352.2151 | AlogP: 2.64 | #Rotatable Bonds: 6 |
| Polar Surface Area: 43.78 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.60 | CX Basic pKa: 8.22 | CX LogP: 2.54 | CX LogD: 1.66 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.81 | Np Likeness Score: -0.31 |
References
| 1. Ellefson CR, Woo CM, Cusic JW.. (1978) Synthesis and antiarrhythmic activity of 2-dialkylaminoalkyl-9-phenyl-1H-indeno[2,1-c]pyridine derivatives., 21 (4): [PMID:650662] [10.1021/jm00202a005] |
Source
Source(1):