The store will not work correctly when cookies are disabled.
SID849360
ID: ALA1345974
Chembl Id: CHEMBL1345974
PubChem CID: 651849
Max Phase: Preclinical
Molecular Formula: C15H12FN7O3
Molecular Weight: 357.31
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: CCOC(=O)Cc1nnc2c(Nc3ccccc3F)nc3nonc3n12
Standard InChI: InChI=1S/C15H12FN7O3/c1-2-25-11(24)7-10-19-20-14-12(17-9-6-4-3-5-8(9)16)18-13-15(23(10)14)22-26-21-13/h3-6H,2,7H2,1H3,(H,17,18,21)
Standard InChI Key: DGZRNUIBWGZCQY-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 |
|---|
Calculated Properties
| Molecular Weight: 357.31 | Molecular Weight (Monoisotopic): 357.0986 | AlogP: 1.65 | #Rotatable Bonds: 5 |
| Polar Surface Area: 120.33 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 10.38 | CX Basic pKa: 0.46 | CX LogP: 0.96 | CX LogD: 0.96 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.53 | Np Likeness Score: -1.89 |
References
| 1. PubChem BioAssay data set, |
