| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3731012
Max Phase: Preclinical
Molecular Formula: C20H12O5
Molecular Weight: 332.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1
Standard InChI: InChI=1S/C20H12O5/c21-13-5-7-15-17(9-13)25-18-10-14(22)6-8-16(18)19(15)11-1-3-12(4-2-11)20(23)24/h1-10,21H,(H,23,24)
Standard InChI Key: OZMRYYNVDYZHQC-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: 332.31 | Molecular Weight (Monoisotopic): 332.0685 | AlogP: 3.97 | #Rotatable Bonds: 2 |
| Polar Surface Area: 87.74 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.06 | CX Basic pKa: 2.90 | CX LogP: 2.70 | CX LogD: -1.11 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.54 | Np Likeness Score: 0.63 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):