| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5184918
Max Phase: Preclinical
Molecular Formula: C21H23F2N3O2
Molecular Weight: 387.43
Associated Items:
Representations
Canonical SMILES: O=C(CNC(=O)c1cc2c(F)cc(F)cc2[nH]1)NC12CC3CC(CC(C3)C1)C2
Standard InChI: InChI=1S/C21H23F2N3O2/c22-14-4-16(23)15-6-18(25-17(15)5-14)20(28)24-10-19(27)26-21-7-11-1-12(8-21)3-13(2-11)9-21/h4-6,11-13,25H,1-3,7-10H2,(H,24,28)(H,26,27)
Standard InChI Key: JFDSGOLARKUKJL-UHFFFAOYSA-N
Associated Targets(Human)
KNS-42 217 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 387.43 | Molecular Weight (Monoisotopic): 387.1758 | AlogP: 3.26 | #Rotatable Bonds: 4 |
| Polar Surface Area: 73.99 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.54 | CX Basic pKa: | CX LogP: 2.34 | CX LogD: 2.34 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.75 | Np Likeness Score: -1.26 |
References
| 1. Alsayed SSR, Suri A, Bailey AW, Lane S, Werry EL, Huang CC, Yu LF, Kassiou M, Sredni ST, Gunosewoyo H.. (2021) Synthesis and antitumour evaluation of indole-2-carboxamides against paediatric brain cancer cells., 12 (11.0): [PMID:34825187] [10.1039/D1MD00065A] |
Source
Source(1):