| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3727794
Max Phase: Preclinical
Molecular Formula: C20H16O6
Molecular Weight: 352.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)C1CC=CCC1c1c2ccc(=O)c(O)c-2oc2cc(O)ccc12
Standard InChI: InChI=1S/C20H16O6/c21-10-5-6-13-16(9-10)26-19-14(7-8-15(22)18(19)23)17(13)11-3-1-2-4-12(11)20(24)25/h1-2,5-9,11-12,21,23H,3-4H2,(H,24,25)
Standard InChI Key: BAKPKHOMBCGIMC-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: 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: 352.34 | Molecular Weight (Monoisotopic): 352.0947 | AlogP: 3.44 | #Rotatable Bonds: 2 |
| Polar Surface Area: 107.97 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.86 | CX Basic pKa: 2.20 | CX LogP: 2.31 | CX LogD: -1.74 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.48 | Np Likeness Score: 0.91 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):