| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094909
Max Phase: Preclinical
Molecular Formula: C26H36N6O5S
Molecular Weight: 544.68
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@@H]1CN(c2nccc(NC(=O)c3ccc(NS(=O)(=O)[C@H](C)CO)cc3N3CCC4(CC3)CC4)n2)CCO1
Standard InChI: InChI=1S/C26H36N6O5S/c1-18-16-32(13-14-37-18)25-27-10-5-23(29-25)28-24(34)21-4-3-20(30-38(35,36)19(2)17-33)15-22(21)31-11-8-26(6-7-26)9-12-31/h3-5,10,15,18-19,30,33H,6-9,11-14,16-17H2,1-2H3,(H,27,28,29,34)/t18-,19-/m1/s1
Standard InChI Key: IAHRXNBHVAZFBW-RTBURBONSA-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: 544.68 | Molecular Weight (Monoisotopic): 544.2468 | AlogP: 2.46 | #Rotatable Bonds: 8 |
| Polar Surface Area: 136.99 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 11 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 8.02 | CX Basic pKa: 4.82 | CX LogP: 2.21 | CX LogD: 2.12 |
| Aromatic Rings: 2 | Heavy Atoms: 38 | QED Weighted: 0.46 | Np Likeness Score: -1.32 |
References
| 1. (2020) Kif18a inhibitors, |
Source
Source(1):