| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4632826
Max Phase: Preclinical
Molecular Formula: C13H15ClN2O3
Molecular Weight: 282.73
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)C1NC(=O)N(OCc2cccc(Cl)c2)C1=O
Standard InChI: InChI=1S/C13H15ClN2O3/c1-8(2)11-12(17)16(13(18)15-11)19-7-9-4-3-5-10(14)6-9/h3-6,8,11H,7H2,1-2H3,(H,15,18)
Standard InChI Key: NCIOOEIDCWZICD-UHFFFAOYSA-N
Associated Targets(Human)
HEp-2 3859 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: 282.73 | Molecular Weight (Monoisotopic): 282.0771 | AlogP: 2.35 | #Rotatable Bonds: 4 |
| Polar Surface Area: 58.64 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.46 | CX Basic pKa: | CX LogP: 2.71 | CX LogD: 2.71 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.86 | Np Likeness Score: -0.54 |
References
| 1. Cho S, Kim SH, Shin D.. (2019) Recent applications of hydantoin and thiohydantoin in medicinal chemistry., 164 [PMID:30622025] [10.1016/j.ejmech.2018.12.066] |
Source
Source(1):