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ID: ALA3392064
Max Phase: Preclinical
Molecular Formula: C14H11N3S
Molecular Weight: 253.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1c2ccccc2nc(=S)n1-c1ccccc1
Standard InChI: InChI=1S/C14H11N3S/c15-13-11-8-4-5-9-12(11)16-14(18)17(13)10-6-2-1-3-7-10/h1-9H,15H2
Standard InChI Key: PQGGVDUFBMMPQX-UHFFFAOYSA-N
Associated Targets(Human)
Prelamin-A/C 36751 Activities
Chromobox protein homolog 1 92434 Activities
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Glucagon-like peptide 1 receptor 111429 Activities
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Associated Targets(non-human)
Nuclear receptor ROR-gamma 89407 Activities
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Plasmodium falciparum 966862 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
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Properties
| Molecular Weight: 253.33 | Molecular Weight (Monoisotopic): 253.0674 | AlogP: 3.34 | #Rotatable Bonds: 1 |
| Polar Surface Area: 43.84 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.59 | CX LogD: 2.59 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.68 | Np Likeness Score: -1.30 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):