| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1208090
Max Phase: Preclinical
Molecular Formula: C20H15N3O5S
Molecular Weight: 409.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1
Standard InChI: InChI=1S/C20H15N3O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,21-22H2,(H,26,27,28)
Standard InChI Key: ZCQMYMXRGJWSHH-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: 409.42 | Molecular Weight (Monoisotopic): 409.0732 | AlogP: 2.62 | #Rotatable Bonds: 3 |
| Polar Surface Area: 152.58 | Molecular Species: ACID | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: -2.95 | CX Basic pKa: 4.83 | CX LogP: 3.61 | CX LogD: 1.60 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.30 | Np Likeness Score: -0.27 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):