| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3729788
Max Phase: Preclinical
Molecular Formula: C22H18O5
Molecular Weight: 362.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1C2C=CC1C(c1c3ccc(=O)cc-3oc3cc(O)ccc13)C2C(=O)O
Standard InChI: InChI=1S/C22H18O5/c1-10-13-6-7-14(10)21(22(25)26)20(13)19-15-4-2-11(23)8-17(15)27-18-9-12(24)3-5-16(18)19/h2-10,13-14,20-21,23H,1H3,(H,25,26)
Standard InChI Key: RKDKSNZPPNIPBB-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: 362.38 | Molecular Weight (Monoisotopic): 362.1154 | AlogP: 3.84 | #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: 3.99 | CX Basic pKa: 2.90 | CX LogP: 2.32 | CX LogD: -1.48 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.53 | Np Likeness Score: 1.01 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):