| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4568222
Max Phase: Preclinical
Molecular Formula: C25H42O3
Molecular Weight: 390.61
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCC/C=C/[C@@H]1[C@H]2CC(CCCCC(=O)O)=C[C@H]2C[C@H]1O
Standard InChI: InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-15-22-23-18-20(14-12-13-16-25(27)28)17-21(23)19-24(22)26/h11,15,17,21-24,26H,2-10,12-14,16,18-19H2,1H3,(H,27,28)/b15-11+/t21-,22+,23-,24+/m0/s1
Standard InChI Key: YTZXNGWTKVXFTM-IAIWUFAZSA-N
Associated Targets(non-human)
Cortical neurone 420 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 390.61 | Molecular Weight (Monoisotopic): 390.3134 | AlogP: 6.66 | #Rotatable Bonds: 15 |
| Polar Surface Area: 57.53 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.66 | CX Basic pKa: | CX LogP: 6.62 | CX LogD: 3.95 |
| Aromatic Rings: 0 | Heavy Atoms: 28 | QED Weighted: 0.24 | Np Likeness Score: 1.53 |
References
| 1. Abu Deiab GI, Croatt MP.. (2019) Synthetic approaches to isocarbacyclin and analogues as potential neuroprotective agents against ischemic stroke., 27 (2): [PMID:30545734] [10.1016/j.bmc.2018.12.010] |
Source
Source(1):