ID: ALA4799859
Chembl Id: CHEMBL4799859
PubChem CID: 135535873
Max Phase: Preclinical
Molecular Formula: C6H10N2O2
Molecular Weight: 142.16
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O/N=C1/CCCC/C1=N\O
Standard InChI: InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h9-10H,1-4H2/b7-5-,8-6+
Standard InChI Key: CUNNCKOPAWXYDX-CGXWXWIYSA-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: 142.16 | Molecular Weight (Monoisotopic): 142.0742 | AlogP: 1.22 | #Rotatable Bonds: 0 |
| Polar Surface Area: 65.18 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.51 | CX Basic pKa: | CX LogP: 1.35 | CX LogD: 1.35 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.39 | Np Likeness Score: -0.02 |
| 1. Ellen Van Damme. (2021) Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activity, [10.6019/CHEMBL4651402] |
Source(1):
