| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3728247
Max Phase: Preclinical
Molecular Formula: C21H10Cl6O7
Molecular Weight: 587.02
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)C1C(c2c3ccc(=O)c(O)c-3oc3c(O)c(O)ccc23)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl
Standard InChI: InChI=1S/C21H10Cl6O7/c22-16-17(23)20(25)11(18(32)33)10(19(16,24)21(20,26)27)9-5-1-3-7(28)12(30)14(5)34-15-6(9)2-4-8(29)13(15)31/h1-4,10-11,28,30-31H,(H,32,33)
Standard InChI Key: NYRAATDDHGRRNZ-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: 587.02 | Molecular Weight (Monoisotopic): 583.8558 | AlogP: 5.64 | #Rotatable Bonds: 2 |
| Polar Surface Area: 128.20 | Molecular Species: ACID | HBA: 6 | HBD: 4 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.46 | CX Basic pKa: 2.19 | CX LogP: 4.13 | CX LogD: 0.15 |
| Aromatic Rings: 1 | Heavy Atoms: 34 | QED Weighted: 0.17 | Np Likeness Score: 0.78 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):