| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3137658
Max Phase: Preclinical
Molecular Formula: C24H19F4N5O2
Molecular Weight: 485.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1ccc([C@H]2[C@@H](Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)CN2C2CC2)cc1F
Standard InChI: InChI=1S/C24H19F4N5O2/c25-17-8-3-14(9-18(17)26)22-19(12-32(22)15-4-5-15)35-21-11-29-10-20-30-31-23(33(20)21)13-1-6-16(7-2-13)34-24(27)28/h1-3,6-11,15,19,22,24H,4-5,12H2/t19-,22-/m0/s1
Standard InChI Key: WHJQMHNZFFDXED-UGKGYDQZSA-N
Associated Targets(non-human)
Plasmodium falciparum 966862 Activities
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: 485.44 | Molecular Weight (Monoisotopic): 485.1475 | AlogP: 4.64 | #Rotatable Bonds: 7 |
| Polar Surface Area: 64.78 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.33 | CX LogP: 3.75 | CX LogD: 3.75 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.36 | Np Likeness Score: -1.46 |
References
| 1. Open Source Malaria Deposition 2. http://malaria.ourexperiment.org, [10.6019/CHEMBL3137547] |
Source
Source(1):