| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3729174
Max Phase: Preclinical
Molecular Formula: C20H12O6
Molecular Weight: 348.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2c(O)c(O)ccc12
Standard InChI: InChI=1S/C20H12O6/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/h1-9,22-23H,(H,24,25)
Standard InChI Key: FDRRMHAZVWHZCP-UHFFFAOYSA-N
Associated Targets(Human)
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 71 Activities
Associated Targets(non-human)
Mus musculus 284745 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 348.31 | Molecular Weight (Monoisotopic): 348.0634 | AlogP: 3.67 | #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: 3.70 | CX Basic pKa: 2.85 | CX LogP: 2.35 | CX LogD: -1.43 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.38 | Np Likeness Score: 0.74 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):