| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1178292
Max Phase: Preclinical
Molecular Formula: C20H23NO5
Molecular Weight: 357.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(N)CC2
Standard InChI: InChI=1S/C20H23NO5/c1-23-16-8-6-12-13(10-15(16)22)14(21)7-5-11-9-17(24-2)19(25-3)20(26-4)18(11)12/h6,8-10,14H,5,7,21H2,1-4H3
Standard InChI Key: HFPMXDMZJUJZBX-UHFFFAOYSA-N
Associated Targets(Human)
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 71 Activities
Molecule Features
| Natural Product: Yes | 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: 357.41 | Molecular Weight (Monoisotopic): 357.1576 | AlogP: 2.69 | #Rotatable Bonds: 4 |
| Polar Surface Area: 80.01 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.42 | CX LogP: 1.64 | CX LogD: -0.34 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.91 | Np Likeness Score: 1.09 |
References
| 1. Li J, Ge Y, Huang JX, Strømgaard K, Zhang X, Xiong XF.. (2020) Heterotrimeric G Proteins as Therapeutic Targets in Drug Discovery., 63 (10): [PMID:31841625] [10.1021/acs.jmedchem.9b01452] |
Source
Source(1):