| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA178591
Max Phase: Preclinical
Molecular Formula: C26H35NO2
Molecular Weight: 393.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCC[C@H]1C(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1
Standard InChI: InChI=1S/C26H35NO2/c1-3-4-5-6-7-8-9-13-16-24-25(21-14-11-10-12-15-21)27(26(24)28)22-17-19-23(29-2)20-18-22/h10-12,14-15,17-20,24-25H,3-9,13,16H2,1-2H3/t24-,25-/m1/s1
Standard InChI Key: XICXLYHRUHIKDF-JWQCQUIFSA-N
Associated Targets(Human)
Acyl coenzyme A:cholesterol acyltransferase 1 857 Activities
Associated Targets(non-human)
Sterol O-acyltransferase 1 43 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: 393.57 | Molecular Weight (Monoisotopic): 393.2668 | AlogP: 6.93 | #Rotatable Bonds: 12 |
| Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 7.18 | CX LogD: 7.18 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.29 | Np Likeness Score: 0.06 |
References
| 1. Itzhak Y, Kalir A, Weissman BA, Cohen S.. (1981) New analgesic drugs derived from phencyclidine., 24 (5): [PMID:7241506] [10.1021/jm00137a004] |
Source
Source(1):