ID: ALA5220218
Chembl Id: CHEMBL5220218
PubChem CID: 37430691
Max Phase: Preclinical
Molecular Formula: C19H30N4O4S
Molecular Weight: 410.54
Associated Items:
Canonical SMILES: COc1cccc(NC(=O)CN2CCN(S(=O)(=O)N3CCC(C)CC3)CC2)c1
Standard InChI: InChI=1S/C19H30N4O4S/c1-16-6-8-22(9-7-16)28(25,26)23-12-10-21(11-13-23)15-19(24)20-17-4-3-5-18(14-17)27-2/h3-5,14,16H,6-13,15H2,1-2H3,(H,20,24)
Standard InChI Key: UVODWHSSDCLILH-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 410.54 | Molecular Weight (Monoisotopic): 410.1988 | AlogP: 1.23 | #Rotatable Bonds: 6 |
| Polar Surface Area: 82.19 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 13.14 | CX Basic pKa: 4.98 | CX LogP: 0.64 | CX LogD: 0.64 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.76 | Np Likeness Score: -1.94 |
| 1. Qunies AM, Mishra NM, Spitznagel BD, Du Y, Acuña VS, David Weaver C, Emmitte KA.. (2022) Structure-activity relationship studies in a new series of 2-amino-N-phenylacetamide inhibitors of Slack potassium channels., 76 [PMID:36184030] [10.1016/j.bmcl.2022.129013] |
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