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ID: ALA1325286
Max Phase: Preclinical
Molecular Formula: C17H14FN3O4S
Molecular Weight: 375.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)cc1
Standard InChI: InChI=1S/C17H14FN3O4S/c1-11-2-4-12(5-3-11)17(22)25-16-10-15(19)21(20-16)26(23,24)14-8-6-13(18)7-9-14/h2-10H,19H2,1H3
Standard InChI Key: KQCSLAXCHGYMEF-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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: 375.38 | Molecular Weight (Monoisotopic): 375.0689 | AlogP: 2.37 | #Rotatable Bonds: 4 |
| Polar Surface Area: 104.28 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.38 | CX LogD: 3.38 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.70 | Np Likeness Score: -1.52 |
References
| 1. PubChem BioAssay data set, |
| 2. PubChem BioAssay data set, |
