ID: ALA345812
Max Phase: Preclinical
Molecular Formula: C14H10N4O2
Molecular Weight: 266.26
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Nc1cc2cccnc2c(-c2cccc([N+](=O)[O-])c2)n1
Standard InChI: InChI=1S/C14H10N4O2/c15-12-8-10-4-2-6-16-13(10)14(17-12)9-3-1-5-11(7-9)18(19)20/h1-8H,(H2,15,17)
Standard InChI Key: QEROEWFWSVQFIF-UHFFFAOYSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 266.26 | Molecular Weight (Monoisotopic): 266.0804 | AlogP: 2.79 | #Rotatable Bonds: 2 |
| Polar Surface Area: 94.94 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.44 | CX LogP: 2.65 | CX LogD: 2.65 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.57 | Np Likeness Score: -1.12 |
| 1. Hersperger R, Bray-French K, Mazzoni L, Müller T.. (2000) Palladium-catalyzed cross-coupling reactions for the synthesis of 6, 8-disubstituted 1,7-naphthyridines: a novel class of potent and selective phosphodiesterase type 4D inhibitors., 43 (4): [PMID:10691693] [10.1021/jm991094u] |
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