| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094904
Max Phase: Preclinical
Molecular Formula: C27H37N5O3S
Molecular Weight: 511.69
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3CCC3)nc2N2CCC3(CC2)CC3)c1
Standard InChI: InChI=1S/C27H37N5O3S/c1-26(2,3)31-36(34,35)21-9-5-8-20(18-21)29-25(33)22-10-11-23(28-19-6-4-7-19)30-24(22)32-16-14-27(12-13-27)15-17-32/h5,8-11,18-19,31H,4,6-7,12-17H2,1-3H3,(H,28,30)(H,29,33)
Standard InChI Key: XHGMMQBMBCVYMU-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: 511.69 | Molecular Weight (Monoisotopic): 511.2617 | AlogP: 4.76 | #Rotatable Bonds: 7 |
| Polar Surface Area: 103.43 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.01 | CX Basic pKa: 6.61 | CX LogP: 4.38 | CX LogD: 4.32 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.50 | Np Likeness Score: -1.51 |
References
| 1. (2021) Pyridine derivatives as kif18a inhibitors, |
Source
Source(1):