| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3731661
Max Phase: Preclinical
Molecular Formula: C21H16O7
Molecular Weight: 380.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)C1C2C=CC(C2)C1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12
Standard InChI: InChI=1S/C21H16O7/c22-12-5-3-10-16(14-8-1-2-9(7-8)15(14)21(26)27)11-4-6-13(23)18(25)20(11)28-19(10)17(12)24/h1-6,8-9,14-15,22,24-25H,7H2,(H,26,27)
Standard InChI Key: LGWWQMQBPJNCFQ-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: 380.35 | Molecular Weight (Monoisotopic): 380.0896 | AlogP: 3.00 | #Rotatable Bonds: 2 |
| Polar Surface Area: 128.20 | Molecular Species: ACID | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.70 | CX Basic pKa: 2.20 | CX LogP: 1.65 | CX LogD: -2.28 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.31 | Np Likeness Score: 0.93 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):