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ID: ALA2397705
Max Phase: Preclinical
Molecular Formula: C14H9ClN2S
Molecular Weight: 272.76
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1cccc(/C=N\c2nsc3ccccc23)c1
Standard InChI: InChI=1S/C14H9ClN2S/c15-11-5-3-4-10(8-11)9-16-14-12-6-1-2-7-13(12)18-17-14/h1-9H/b16-9-
Standard InChI Key: OHLKLNXASMACLD-SXGWCWSVSA-N
Associated Targets(Human)
WIL2-NS 170 Activities
CCRF-SB 186 Activities
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CCRF-CEM 65223 Activities
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MT4 17854 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: 272.76 | Molecular Weight (Monoisotopic): 272.0175 | AlogP: 4.70 | #Rotatable Bonds: 2 |
| Polar Surface Area: 25.25 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.11 | CX LogD: 5.11 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.62 | Np Likeness Score: -1.77 |
References
| 1. Sztanke K, Maziarka A, Osinka A, Sztanke M.. (2013) An insight into synthetic Schiff bases revealing antiproliferative activities in vitro., 21 (13): [PMID:23673213] [10.1016/j.bmc.2013.04.037] |
Source
Source(1):