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ID: ALA1728041
Max Phase: Preclinical
Molecular Formula: C15H11NOS
Molecular Weight: 253.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(c1cccs1)c1c[nH]cc1-c1ccccc1
Standard InChI: InChI=1S/C15H11NOS/c17-15(14-7-4-8-18-14)13-10-16-9-12(13)11-5-2-1-3-6-11/h1-10,16H
Standard InChI Key: MZFMFMYTUJBQOK-UHFFFAOYSA-N
Associated Targets(Human)
Chromobox protein homolog 1 92434 Activities
DNA polymerase iota 116820 Activities
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HepG2 196354 Activities
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Associated Targets(non-human)
Mitochondrial import inner membrane translocase subunit TIM10 1435 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: 253.33 | Molecular Weight (Monoisotopic): 253.0561 | AlogP: 3.97 | #Rotatable Bonds: 3 |
| Polar Surface Area: 32.86 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.07 | CX LogD: 4.07 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.70 | Np Likeness Score: -1.15 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):