| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2381805
Max Phase: Preclinical
Molecular Formula: C20H24N4O2
Molecular Weight: 352.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCn1cc(C(=O)NCc2ccccc2)c(=O)n2nc(C)cc12
Standard InChI: InChI=1S/C20H24N4O2/c1-3-4-8-11-23-14-17(20(26)24-18(23)12-15(2)22-24)19(25)21-13-16-9-6-5-7-10-16/h5-7,9-10,12,14H,3-4,8,11,13H2,1-2H3,(H,21,25)
Standard InChI Key: ZHHCPRULJVHILG-UHFFFAOYSA-N
Associated Targets(Human)
Cannabinoid CB2 receptor 16942 Activities
Cannabinoid CB1 receptor 20913 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Cannabinoid CB2 receptor 721 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Cannabinoid CB1 receptor 3458 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 352.44 | Molecular Weight (Monoisotopic): 352.1899 | AlogP: 2.92 | #Rotatable Bonds: 7 |
| Polar Surface Area: 68.40 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.64 | CX Basic pKa: | CX LogP: 2.57 | CX LogD: 2.57 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.66 | Np Likeness Score: -1.51 |
References
| 1. Aghazadeh Tabrizi M, Baraldi PG, Saponaro G, Moorman AR, Romagnoli R, Preti D, Baraldi S, Ruggiero E, Tintori C, Tuccinardi T, Vincenzi F, Borea PA, Varani K.. (2013) Discovery of 7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamides as potent and selective CB(2) cannabinoid receptor inverse agonists., 56 (11): [PMID:23697626] [10.1021/jm400182t] |
Source
Source(1):