| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4536357
Max Phase: Preclinical
Molecular Formula: C21H12F3NO4
Molecular Weight: 399.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1Nc2ccc(C(=O)c3ccco3)cc2/C1=C/c1ccc(O)c(C(F)(F)F)c1
Standard InChI: InChI=1S/C21H12F3NO4/c22-21(23,24)15-9-11(3-6-17(15)26)8-14-13-10-12(4-5-16(13)25-20(14)28)19(27)18-2-1-7-29-18/h1-10,26H,(H,25,28)/b14-8-
Standard InChI Key: ALUYXZFDHNDGJD-ZSOIEALJSA-N
Associated Targets(Human)
Kinesin-like protein KIF15 55 Activities
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: 399.32 | Molecular Weight (Monoisotopic): 399.0718 | AlogP: 4.73 | #Rotatable Bonds: 3 |
| Polar Surface Area: 79.54 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.70 | CX Basic pKa: | CX LogP: 4.36 | CX LogD: 4.18 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.49 | Np Likeness Score: -0.60 |
References
| 1. Dumas ME, Chen GY, Kendrick ND, Xu G, Larsen SD, Jana S, Waterson AG, Bauer JA, Hancock W, Sulikowski GA, Ohi R.. (2019) Dual inhibition of Kif15 by oxindole and quinazolinedione chemical probes., 29 (2): [PMID:30528696] [10.1016/j.bmcl.2018.12.008] |
Source
Source(1):