| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5197962
Max Phase: Preclinical
Molecular Formula: C17H14F2N2O
Molecular Weight: 300.31
Associated Items:
Representations
Canonical SMILES: Cc1cccc(CNC(=O)c2cc3c(F)cc(F)cc3[nH]2)c1
Standard InChI: InChI=1S/C17H14F2N2O/c1-10-3-2-4-11(5-10)9-20-17(22)16-8-13-14(19)6-12(18)7-15(13)21-16/h2-8,21H,9H2,1H3,(H,20,22)
Standard InChI Key: ABSMZVMCKFSVOG-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: 300.31 | Molecular Weight (Monoisotopic): 300.1074 | AlogP: 3.68 | #Rotatable Bonds: 3 |
| Polar Surface Area: 44.89 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.57 | CX Basic pKa: | CX LogP: 3.59 | CX LogD: 3.59 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.76 | Np Likeness Score: -1.62 |
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):