| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094911
Max Phase: Preclinical
Molecular Formula: C27H37N5O4S
Molecular Weight: 527.69
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(C)cc(N3CCO[C@H](C)C3)n2)c(N2CCC3(CC2)CC3)c1
Standard InChI: InChI=1S/C27H37N5O4S/c1-4-37(34,35)30-21-5-6-22(23(17-21)31-11-9-27(7-8-27)10-12-31)26(33)29-24-15-19(2)16-25(28-24)32-13-14-36-20(3)18-32/h5-6,15-17,20,30H,4,7-14,18H2,1-3H3,(H,28,29,33)/t20-/m1/s1
Standard InChI Key: HNUIKSXDVIDCIF-HXUWFJFHSA-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: 527.69 | Molecular Weight (Monoisotopic): 527.2566 | AlogP: 4.01 | #Rotatable Bonds: 7 |
| Polar Surface Area: 103.87 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.99 | CX Basic pKa: 4.95 | CX LogP: 3.82 | CX LogD: 3.81 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.56 | Np Likeness Score: -1.71 |
References
| 1. (2020) Kif18a inhibitors, |
Source
Source(1):