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ID: ALA2144634
Max Phase: Preclinical
Molecular Formula: C20H14N2O2
Molecular Weight: 314.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1c2ccccc2c2ccccc2c(=O)n1Nc1ccccc1
Standard InChI: InChI=1S/C20H14N2O2/c23-19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)20(24)22(19)21-14-8-2-1-3-9-14/h1-13,21H
Standard InChI Key: XMDPDSCCCGQQTE-UHFFFAOYSA-N
Associated Targets(Human)
GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)
ATXN2 Tbio Ataxin-2 (54410 Activities)
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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)
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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
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Associated Targets(non-human)
vpr Aberrant vpr protein (14595 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
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Mechanisms of Action
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Properties
| Molecular Weight: 314.34 | Molecular Weight (Monoisotopic): 314.1055 | AlogP: 3.39 | #Rotatable Bonds: 2 |
| Polar Surface Area: 51.10 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.44 | CX LogD: 4.44 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.62 | Np Likeness Score: -0.61 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):