ID: ALA2152523
Chembl Id: CHEMBL2152523
PubChem CID: 21635104
Max Phase: Preclinical
Molecular Formula: C24H32N2
Molecular Weight: 348.53
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: c1ccc([C@H]([C@@H](c2ccccc2)N2CCCCC2)N2CCCCC2)cc1
Standard InChI: InChI=1S/C24H32N2/c1-5-13-21(14-6-1)23(25-17-9-3-10-18-25)24(22-15-7-2-8-16-22)26-19-11-4-12-20-26/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2/t23-,24-/m1/s1
Standard InChI Key: MTYFDEYZRYWPAI-DNQXCXABSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 348.53 | Molecular Weight (Monoisotopic): 348.2565 | AlogP: 5.44 | #Rotatable Bonds: 5 |
| Polar Surface Area: 6.48 | Molecular Species: BASE | HBA: 2 | HBD: ┄ |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: ┄ | CX Basic pKa: 9.88 | CX LogP: 5.48 | CX LogD: 3.02 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.71 | Np Likeness Score: -0.50 |
| 1. Boström J.. (2012) Symmetric kv1.5 blockers discovered by focused screening., 3 (9): [PMID:24900546] [10.1021/ml3001787] |
| 2. Olsson RI, Jacobson I, Boström J, Fex T, Björe A, Olsson C, Sundell J, Gran U, Öhrn A, Nordin A, Gyll J, Thorstensson M, Hayen A, Aplander K, Hidestål O, Jiang F, Linhardt G, Forsström E, Collins T, Sundqvist M, Lindhardt E, Åstrand A, Löfberg B.. (2013) Synthesis and evaluation of diphenylphosphinic amides and diphenylphosphine oxides as inhibitors of Kv1.5., 23 (3): [PMID:23260347] [10.1016/j.bmcl.2012.11.098] |
| 3. Mark Wenlock and Nicholas Tomkinson. Experimental in vitro DMPK and physicochemical data on a set of publicly disclosed compounds, [10.6019/CHEMBL3301361] |
| 4. Kajanus J, Antonsson T, Carlsson L, Jurva U, Pettersen A, Sundell J, Inghardt T.. (2019) Potassium channel blocking 1,2-bis(aryl)ethane-1,2-diamines active as antiarrhythmic agents., 29 (10): [PMID:30879840] [10.1016/j.bmcl.2019.03.006] |
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