| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3728494
Max Phase: Preclinical
Molecular Formula: C21H17N3O5S
Molecular Weight: 423.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1
Standard InChI: InChI=1S/C21H17N3O5S/c1-23-11-6-8-12(9-7-11)24-15-10-16(30(27,28)29)19(22)18-17(15)20(25)13-4-2-3-5-14(13)21(18)26/h2-10,23-24H,22H2,1H3,(H,27,28,29)
Standard InChI Key: HZKAPKKKJAJPQR-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: 423.45 | Molecular Weight (Monoisotopic): 423.0889 | AlogP: 3.08 | #Rotatable Bonds: 4 |
| Polar Surface Area: 138.59 | Molecular Species: ACID | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: -2.89 | CX Basic pKa: 6.00 | CX LogP: 3.60 | CX LogD: 2.32 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.29 | Np Likeness Score: -0.19 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):