| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3728876
Max Phase: Preclinical
Molecular Formula: C36H25I2N5
Molecular Weight: 781.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Ic1ccc2c(c1)N(c1ccccc1)c1cc(Nc3ccc4c(c3)N(c3ccccc3)c3cc(I)ccc3N4)ccc1N2
Standard InChI: InChI=1S/C36H25I2N5/c37-23-11-15-29-33(19-23)42(27-7-3-1-4-8-27)35-21-25(13-17-31(35)40-29)39-26-14-18-32-36(22-26)43(28-9-5-2-6-10-28)34-20-24(38)12-16-30(34)41-32/h1-22,39-41H
Standard InChI Key: FEZOTOKVPNJSPX-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: 781.44 | Molecular Weight (Monoisotopic): 781.0199 | AlogP: 11.69 | #Rotatable Bonds: 4 |
| Polar Surface Area: 42.57 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 3.38 | CX LogP: 10.85 | CX LogD: 10.85 |
| Aromatic Rings: 6 | Heavy Atoms: 43 | QED Weighted: 0.16 | Np Likeness Score: -0.71 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):