| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3727667
Max Phase: Preclinical
Molecular Formula: C21H20N6O
Molecular Weight: 372.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(N)c2ccc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3)cc2n1
Standard InChI: InChI=1S/C21H20N6O/c1-11-8-18(23)16-9-13(4-6-19(16)24-11)26-21(28)27-14-3-5-15-17(22)7-12(2)25-20(15)10-14/h3-10H,1-2H3,(H2,22,25)(H2,23,24)(H2,26,27,28)
Standard InChI Key: HMEOCCVJPIDHBU-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: 372.43 | Molecular Weight (Monoisotopic): 372.1699 | AlogP: 4.21 | #Rotatable Bonds: 2 |
| Polar Surface Area: 118.95 | Molecular Species: BASE | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.33 | CX Basic pKa: 8.95 | CX LogP: 2.04 | CX LogD: -0.25 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.42 | Np Likeness Score: -1.06 |
References
| 1. (2010) Compositions and methods for inhibiting g protein signaling, |
Source
Source(1):