| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3818673
Max Phase: Preclinical
Molecular Formula: C24H32N2O
Molecular Weight: 364.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1
Standard InChI: InChI=1S/C24H32N2O/c1-16-7-9-20(10-8-16)25-11-13-26(14-12-25)22-17(2)18(3)23-21(19(22)4)15-24(5,6)27-23/h7-10H,11-15H2,1-6H3
Standard InChI Key: RYIBYVIRLMVBSK-UHFFFAOYSA-N
Associated Targets(Human)
Liver microsome 8277 Activities
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: 364.53 | Molecular Weight (Monoisotopic): 364.2515 | AlogP: 4.96 | #Rotatable Bonds: 2 |
| Polar Surface Area: 15.71 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.69 | CX LogP: 6.45 | CX LogD: 6.45 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.75 | Np Likeness Score: -0.36 |
References
| 1. Wakabayashi T, Tokunaga N, Tokumaru K, Ohra T, Koyama N, Hayashi S, Yamada R, Shirasaki M, Inui Y, Tsukamoto T.. (2016) Discovery of Benzofuran Derivatives that Collaborate with Insulin-Like Growth Factor 1 (IGF-1) to Promote Neuroprotection., 59 (10): [PMID:27163512] [10.1021/acs.jmedchem.6b00191] |
Source
Source(1):