| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4754926
Max Phase: Preclinical
Molecular Formula: C19H22F2N6O2
Molecular Weight: 404.42
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCC(CO)NC(=O)Nc1cnn2ccc(N[C@H](C)c3cc(F)ccc3F)nc12
Standard InChI: InChI=1S/C19H22F2N6O2/c1-3-13(10-28)24-19(29)25-16-9-22-27-7-6-17(26-18(16)27)23-11(2)14-8-12(20)4-5-15(14)21/h4-9,11,13,28H,3,10H2,1-2H3,(H,23,26)(H2,24,25,29)/t11-,13?/m1/s1
Standard InChI Key: UBYBXLWMSCLSKJ-JTDNENJMSA-N
Associated Targets(Human)
NT-3 growth factor receptor 2338 Activities
Neurotrophic tyrosine kinase receptor type 2 3279 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Nerve growth factor receptor Trk-A 7922 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: Unknown | 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: 404.42 | Molecular Weight (Monoisotopic): 404.1772 | AlogP: 3.07 | #Rotatable Bonds: 7 |
| Polar Surface Area: 103.58 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.00 | CX Basic pKa: 0.71 | CX LogP: 2.52 | CX LogD: 2.52 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.48 | Np Likeness Score: -1.94 |
References
| 1. Zhang Y,Liu Y,Zhou Y,Zhang Q,Han T,Tang C,Fan W. (2021) Pyrazolo[1,5-a]pyrimidine based Trk inhibitors: Design, synthesis, biological activity evaluation., 31 [PMID:33246108] [10.1016/j.bmcl.2020.127712] |
Source
Source(1):