| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4787769
Max Phase: Preclinical
Molecular Formula: C20H24F2N6O2
Molecular Weight: 418.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCC(CO)NC(=O)Nc1cnn2ccc(N(C)[C@H](C)c3cc(F)ccc3F)nc12
Standard InChI: InChI=1S/C20H24F2N6O2/c1-4-14(11-29)24-20(30)25-17-10-23-28-8-7-18(26-19(17)28)27(3)12(2)15-9-13(21)5-6-16(15)22/h5-10,12,14,29H,4,11H2,1-3H3,(H2,24,25,30)/t12-,14?/m1/s1
Standard InChI Key: TVDCSSYHPQMVIE-PUODRLBUSA-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 |
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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: 418.45 | Molecular Weight (Monoisotopic): 418.1929 | AlogP: 3.10 | #Rotatable Bonds: 7 |
| Polar Surface Area: 94.79 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.00 | CX Basic pKa: 0.71 | CX LogP: 3.16 | CX LogD: 3.16 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.55 | Np Likeness Score: -1.82 |
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):