Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
ID: ALA4439530
Max Phase: Preclinical
Molecular Formula: C17H10ClN3O3
Molecular Weight: 339.74
Molecule Type: Unknown
Associated Items:
ID: ALA4439530
Max Phase: Preclinical
Molecular Formula: C17H10ClN3O3
Molecular Weight: 339.74
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=C1Nc2ccc(Cl)cc2/C1=N/NC(=O)c1cc2ccccc2o1
Standard InChI: InChI=1S/C17H10ClN3O3/c18-10-5-6-12-11(8-10)15(17(23)19-12)20-21-16(22)14-7-9-3-1-2-4-13(9)24-14/h1-8H,(H,21,22)(H,19,20,23)
Standard InChI Key: SQHXGBMFYKPNEZ-UHFFFAOYSA-N
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: Unknown | 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 |
---|
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
---|
Molecular Weight: 339.74 | Molecular Weight (Monoisotopic): 339.0411 | AlogP: 3.17 | #Rotatable Bonds: 2 |
Polar Surface Area: 83.70 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
#RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: 9.73 | CX Basic pKa: | CX LogP: 2.91 | CX LogD: 2.91 |
Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.70 | Np Likeness Score: -1.40 |
1. Xu Z, Zhao S, Lv Z, Feng L, Wang Y, Zhang F, Bai L, Deng J.. (2019) Benzofuran derivatives and their anti-tubercular, anti-bacterial activities., 162 [PMID:30448416] [10.1016/j.ejmech.2018.11.025] |
Source(1):