| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4071177
Max Phase: Preclinical
Molecular Formula: C19H15ClFN3O
Molecular Weight: 355.80
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccccc12
Standard InChI: InChI=1S/C19H15ClFN3O/c1-9-6-11-10-7-14(21)13(20)8-16(10)22-17(11)19(24-9)12-4-2-3-5-15(12)23-18(19)25/h2-5,7-9,22,24H,6H2,1H3,(H,23,25)/t9-,19+/m0/s1
Standard InChI Key: HYOWKJJCWVESPI-ZRNGKTOUSA-N
Associated Targets(non-human)
Plasmodium falciparum 966862 Activities
Plasmodium vivax 152 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 355.80 | Molecular Weight (Monoisotopic): 355.0888 | AlogP: 3.69 | #Rotatable Bonds: 0 |
| Polar Surface Area: 56.92 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.30 | CX Basic pKa: 6.75 | CX LogP: 3.57 | CX LogD: 3.48 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.58 | Np Likeness Score: 0.01 |
References
| 1. Devender N, Gunjan S, Tripathi R, Tripathi RP.. (2017) Synthesis and antiplasmodial activity of novel indoleamide derivatives bearing sulfonamide and triazole pharmacophores., 131 [PMID:28319782] [10.1016/j.ejmech.2017.03.010] |
Source
Source(1):