| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3189608
Max Phase: Preclinical
Molecular Formula: C17H15ClN2O4
Molecular Weight: 346.77
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1
Standard InChI: InChI=1S/C17H15ClN2O4/c18-14-5-1-12(2-6-14)9-16(21)20-19-10-13-3-7-15(8-4-13)24-11-17(22)23/h1-8,10H,9,11H2,(H,20,21)(H,22,23)/b19-10+
Standard InChI Key: ZVBJKMCUSBGDPX-VXLYETTFSA-N
Associated Targets(Human)
Glycoprotein hormones alpha chain 29278 Activities
Associated Targets(non-human)
6-phospho-1-fructokinase 7870 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Plasmodium falciparum 966862 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Luciferin 4-monooxygenase 66902 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 346.77 | Molecular Weight (Monoisotopic): 346.0720 | AlogP: 2.50 | #Rotatable Bonds: 7 |
| Polar Surface Area: 87.99 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.35 | CX Basic pKa: 1.39 | CX LogP: 2.75 | CX LogD: -0.55 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.60 | Np Likeness Score: -1.57 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):