| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3732367
Max Phase: Preclinical
Molecular Formula: C26H27N5O2
Molecular Weight: 441.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(N)c2cc(CC(=O)C(C)(C)C(=O)Nc3ccc4nc(C)cc(N)c4c3)ccc2n1
Standard InChI: InChI=1S/C26H27N5O2/c1-14-9-20(27)18-11-16(5-7-22(18)29-14)12-24(32)26(3,4)25(33)31-17-6-8-23-19(13-17)21(28)10-15(2)30-23/h5-11,13H,12H2,1-4H3,(H2,27,29)(H2,28,30)(H,31,33)
Standard InChI Key: KTDMFTWEWVZLMJ-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: 441.54 | Molecular Weight (Monoisotopic): 441.2165 | AlogP: 4.34 | #Rotatable Bonds: 5 |
| Polar Surface Area: 123.99 | Molecular Species: BASE | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.49 | CX Basic pKa: 9.09 | CX LogP: 3.29 | CX LogD: 0.75 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.40 | Np Likeness Score: -0.70 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):