ID: ALA4171825
Chembl Id: CHEMBL4171825
PubChem CID: 145950515
Max Phase: Preclinical
Molecular Formula: C10H10Cl2N4
Molecular Weight: 257.12
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: ClCCCn1nnnc1-c1ccccc1Cl
Standard InChI: InChI=1S/C10H10Cl2N4/c11-6-3-7-16-10(13-14-15-16)8-4-1-2-5-9(8)12/h1-2,4-5H,3,6-7H2
Standard InChI Key: GOWICIVFUITZKC-UHFFFAOYSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 257.12 | Molecular Weight (Monoisotopic): 256.0283 | AlogP: 2.62 | #Rotatable Bonds: 4 |
| Polar Surface Area: 43.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.71 | CX LogD: 2.71 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.79 | Np Likeness Score: -2.27 |
| 1. Staniszewska M, Gizińska M, Mikulak E, Adamus K, Koronkiewicz M, Łukowska-Chojnacka E.. (2018) New 1,5 and 2,5-disubstituted tetrazoles-dependent activity towards surface barrier of Candida albicans., 145 [PMID:29324336] [10.1016/j.ejmech.2017.11.089] |
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