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ID: ALA2397710
Max Phase: Preclinical
Molecular Formula: C15H11ClN2S
Molecular Weight: 286.79
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc2snc(/N=C\c3ccccc3Cl)c2c1
Standard InChI: InChI=1S/C15H11ClN2S/c1-10-6-7-14-12(8-10)15(18-19-14)17-9-11-4-2-3-5-13(11)16/h2-9H,1H3/b17-9-
Standard InChI Key: GVXQOJBRPJRCQP-MFOYZWKCSA-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: 286.79 | Molecular Weight (Monoisotopic): 286.0331 | AlogP: 5.01 | #Rotatable Bonds: 2 |
| Polar Surface Area: 25.25 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.62 | CX LogD: 5.62 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.61 | Np Likeness Score: -1.80 |
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):