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ID: ALA1872287
Max Phase: Preclinical
Molecular Formula: C15H14N4O
Molecular Weight: 266.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(OCc2nnnn2-c2ccccc2)cc1
Standard InChI: InChI=1S/C15H14N4O/c1-12-7-9-14(10-8-12)20-11-15-16-17-18-19(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
Standard InChI Key: SLPOHMVMCZWHDR-UHFFFAOYSA-N
Associated Targets(Human)
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
POLI Tchem DNA polymerase iota (116820 Activities)
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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
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Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
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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: 266.30 | Molecular Weight (Monoisotopic): 266.1168 | AlogP: 2.55 | #Rotatable Bonds: 4 |
| Polar Surface Area: 52.83 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.16 | CX LogD: 3.16 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.73 | Np Likeness Score: -2.30 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):