| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5087569
Max Phase: Preclinical
Molecular Formula: C24H28F2N4O3S
Molecular Weight: 490.58
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cccc(S(=O)(=O)N2CCCC(F)(F)C2)c1)c1ccncc1N1CCC2(CC1)CC2
Standard InChI: InChI=1S/C24H28F2N4O3S/c25-24(26)6-2-12-30(17-24)34(32,33)19-4-1-3-18(15-19)28-22(31)20-5-11-27-16-21(20)29-13-9-23(7-8-23)10-14-29/h1,3-5,11,15-16H,2,6-10,12-14,17H2,(H,28,31)
Standard InChI Key: CDZUQEBGBISPDL-UHFFFAOYSA-N
Associated Targets(Human)
Kinesin-like protein KIF18A 889 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: 490.58 | Molecular Weight (Monoisotopic): 490.1850 | AlogP: 4.13 | #Rotatable Bonds: 5 |
| Polar Surface Area: 82.61 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.72 | CX LogP: 2.86 | CX LogD: 2.86 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.68 | Np Likeness Score: -1.49 |
References
| 1. (2021) Pyridine derivatives as kif18a inhibitors, |
Source
Source(1):