| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4215504
Max Phase: Preclinical
Molecular Formula: C19H19F2N3O2
Molecular Weight: 359.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1CNC(=O)N1CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21
Standard InChI: InChI=1S/C19H19F2N3O2/c1-11-8-22-19(26)23(11)9-14(25)10-24-17-4-2-12(20)6-15(17)16-7-13(21)3-5-18(16)24/h2-7,11,14,25H,8-10H2,1H3,(H,22,26)
Standard InChI Key: SNEKQIGUUXKDQP-UHFFFAOYSA-N
Associated Targets(Human)
PER2 Tchem CRY2/PER2 (55 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: 359.38 | Molecular Weight (Monoisotopic): 359.1445 | AlogP: 2.85 | #Rotatable Bonds: 4 |
| Polar Surface Area: 57.50 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.83 | CX Basic pKa: | CX LogP: 2.35 | CX LogD: 2.35 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.75 | Np Likeness Score: -0.75 |
References
| 1. Humphries PS, Bersot R, Kincaid J, Mabery E, McCluskie K, Park T, Renner T, Riegler E, Steinfeld T, Turtle ED, Wei ZL, Willis E.. (2018) Carbazole-containing amides and ureas: Discovery of cryptochrome modulators as antihyperglycemic agents., 28 (3): [PMID:29292223] [10.1016/j.bmcl.2017.12.051] |
Source
Source(1):