| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3355004
Max Phase: Preclinical
Molecular Formula: C20H24FN5O
Molecular Weight: 369.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)n1nc(-c2cnc3[nH]cc(F)c3c2)cc1C1CCN(C2COC2)C1
Standard InChI: InChI=1S/C20H24FN5O/c1-12(2)26-19(13-3-4-25(9-13)15-10-27-11-15)6-18(24-26)14-5-16-17(21)8-23-20(16)22-7-14/h5-8,12-13,15H,3-4,9-11H2,1-2H3,(H,22,23)
Standard InChI Key: GEXWJSDYWQNHLQ-UHFFFAOYSA-N
Associated Targets(Human)
Protein delta homolog 1 64 Activities
Mitogen-activated protein kinase kinase kinase 12 1076 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: 369.44 | Molecular Weight (Monoisotopic): 369.1965 | AlogP: 3.33 | #Rotatable Bonds: 4 |
| Polar Surface Area: 58.97 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.94 | CX Basic pKa: 7.25 | CX LogP: 2.37 | CX LogD: 2.13 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.77 | Np Likeness Score: -1.10 |
References
| 1. Abdel-Magid AF.. (2015) Dual leucine zipper kinase inhibitors: potential treatments for neurodegenerative diseases., 6 (1): [PMID:25589918] [10.1021/ml500347s] |
| 2. (2014) 3-substituted pyrazoles and use as dlk inhibitors, |
Source
Source(2):