| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3728058
Max Phase: Preclinical
Molecular Formula: C18H19BrO
Molecular Weight: 331.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1cc2c(c3ccc(C(=O)CBr)cc13)CCCC2
Standard InChI: InChI=1S/C18H19BrO/c1-2-12-9-13-5-3-4-6-15(13)16-8-7-14(10-17(12)16)18(20)11-19/h7-10H,2-6,11H2,1H3
Standard InChI Key: RPZCQYBKVFZDLR-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: 331.25 | Molecular Weight (Monoisotopic): 330.0619 | AlogP: 4.86 | #Rotatable Bonds: 3 |
| Polar Surface Area: 17.07 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.65 | CX LogD: 5.65 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.58 | Np Likeness Score: -0.10 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):