| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3249164
Max Phase: Preclinical
Molecular Formula: C26H34N2O2
Molecular Weight: 406.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(c1ccccc1)C1CN(CCCN2CCCCC2)CCC1(O)c1ccccc1
Standard InChI: InChI=1S/C26H34N2O2/c29-25(22-11-4-1-5-12-22)24-21-28(19-10-18-27-16-8-3-9-17-27)20-15-26(24,30)23-13-6-2-7-14-23/h1-2,4-7,11-14,24,30H,3,8-10,15-21H2
Standard InChI Key: HJMGHMRVGGXVHM-UHFFFAOYSA-N
Associated Targets(non-human)
Heart 171 Activities
Canis familiaris 36305 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 406.57 | Molecular Weight (Monoisotopic): 406.2620 | AlogP: 3.96 | #Rotatable Bonds: 7 |
| Polar Surface Area: 43.78 | Molecular Species: BASE | 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: 8.85 | CX LogP: 3.45 | CX LogD: 1.93 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.71 | Np Likeness Score: -0.25 |
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):