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ID: ALA1382117
Max Phase: Preclinical
Molecular Formula: C14H11N3O4
Molecular Weight: 285.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cccc(N2C(=O)Nc3ccccc3N2O)c1
Standard InChI: InChI=1S/C14H11N3O4/c18-13(19)9-4-3-5-10(8-9)16-14(20)15-11-6-1-2-7-12(11)17(16)21/h1-8,21H,(H,15,20)(H,18,19)
Standard InChI Key: ZFVPLQSWNLVBLR-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: 285.26 | Molecular Weight (Monoisotopic): 285.0750 | AlogP: 2.55 | #Rotatable Bonds: 2 |
| Polar Surface Area: 93.11 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.88 | CX Basic pKa: | CX LogP: 1.30 | CX LogD: -1.93 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.79 | Np Likeness Score: -0.70 |
References
| 1. PubChem BioAssay data set, |
