| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3262943
Max Phase: Preclinical
Molecular Formula: C22H38O7
Molecular Weight: 414.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)CC(C/C=C1\CC(CO)(COC(=O)C(C)(CO)CO)OC1=O)CC(C)C
Standard InChI: InChI=1S/C22H38O7/c1-15(2)8-17(9-16(3)4)6-7-18-10-22(13-25,29-19(18)26)14-28-20(27)21(5,11-23)12-24/h7,15-17,23-25H,6,8-14H2,1-5H3/b18-7+
Standard InChI Key: AJGPKTWULSZUGH-CNHKJKLMSA-N
Associated Targets(non-human)
Prkcd Protein kinase C delta (192 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: 414.54 | Molecular Weight (Monoisotopic): 414.2618 | AlogP: 2.22 | #Rotatable Bonds: 12 |
| Polar Surface Area: 113.29 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.03 | CX LogD: 3.03 |
| Aromatic Rings: 0 | Heavy Atoms: 29 | QED Weighted: 0.33 | Np Likeness Score: 1.20 |
References
| 1. Pu Y, Kang JH, Sigano DM, Peach ML, Lewin NE, Marquez VE, Blumberg PM.. (2014) Diacylglycerol lactones targeting the structural features that distinguish the atypical C1 domains of protein kinase C ζ and ι from typical C1 domains., 57 (9): [PMID:24684293] [10.1021/jm500165n] |
Source
Source(1):