ID: ALA4170370
Chembl Id: CHEMBL4170370
PubChem CID: 145954687
Max Phase: Preclinical
Molecular Formula: C15H21N5O
Molecular Weight: 287.37
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccc(-c2nnn(CCCN3CCOCC3)n2)cc1
Standard InChI: InChI=1S/C15H21N5O/c1-13-3-5-14(6-4-13)15-16-18-20(17-15)8-2-7-19-9-11-21-12-10-19/h3-6H,2,7-12H2,1H3
Standard InChI Key: WCFGVGWWLVXXBN-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: 287.37 | Molecular Weight (Monoisotopic): 287.1746 | AlogP: 1.37 | #Rotatable Bonds: 5 |
| Polar Surface Area: 56.07 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.36 | CX LogP: 2.47 | CX LogD: 2.19 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.83 | Np Likeness Score: -2.42 |
| 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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