| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA480680
Max Phase: Preclinical
Molecular Formula: C25H38O4
Molecular Weight: 402.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCC/C=C\CCCCCCCc1cc(OC(C)=O)cc(OC(C)=O)c1
Standard InChI: InChI=1S/C25H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-24(28-21(2)26)20-25(19-23)29-22(3)27/h9-10,18-20H,4-8,11-17H2,1-3H3/b10-9-
Standard InChI Key: INXVEWVKDXNWCX-KTKRTIGZSA-N
Associated Targets(non-human)
1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma-1 24 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: 402.58 | Molecular Weight (Monoisotopic): 402.2770 | AlogP: 6.95 | #Rotatable Bonds: 15 |
| Polar Surface Area: 52.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 7.56 | CX LogD: 7.56 |
| Aromatic Rings: 1 | Heavy Atoms: 29 | QED Weighted: 0.14 | Np Likeness Score: 0.63 |
References
| 1. Lee JS, Cho YS, Park EJ, Kim J, Oh WK, Lee HS, Ahn JS.. (1998) Phospholipase Cgamma1 inhibitory principles from the sarcotestas of Ginkgo biloba., 61 (7): [PMID:9677265] [10.1021/np970367q] |
Source
Source(1):