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ID: ALA1735352
Max Phase: Preclinical
Molecular Formula: C17H13N3O3
Molecular Weight: 307.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1c(C(=O)Nc2ccccc2)noc1C(=O)c1ccccc1
Standard InChI: InChI=1S/C17H13N3O3/c18-13-14(17(22)19-12-9-5-2-6-10-12)20-23-16(13)15(21)11-7-3-1-4-8-11/h1-10H,18H2,(H,19,22)
Standard InChI Key: WPYUBXBPVRNYSB-UHFFFAOYSA-N
Associated Targets(Human)
Signal transducer and activator of transcription 1-alpha/beta 808 Activities
Signal transducer and activator of transcription 3 3313 Activities
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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: 307.31 | Molecular Weight (Monoisotopic): 307.0957 | AlogP: 2.74 | #Rotatable Bonds: 4 |
| Polar Surface Area: 98.22 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.93 | CX Basic pKa: | CX LogP: 3.67 | CX LogD: 3.67 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.72 | Np Likeness Score: -1.26 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):