ID: ALA1455109
Chembl Id: CHEMBL1455109
PubChem CID: 2726311
Max Phase: Preclinical
Molecular Formula: C10H9ClN2O3
Molecular Weight: 240.65
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CN(C)C(=O)Oc1noc2cc(Cl)ccc12
Standard InChI: InChI=1S/C10H9ClN2O3/c1-13(2)10(14)15-9-7-4-3-6(11)5-8(7)16-12-9/h3-5H,1-2H3
Standard InChI Key: IAGSCLYNFVGIIM-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: 240.65 | Molecular Weight (Monoisotopic): 240.0302 | AlogP: 2.54 | #Rotatable Bonds: 1 |
| Polar Surface Area: 55.57 | Molecular Species: NEUTRAL | HBA: 4 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 2.28 | CX LogD: 2.28 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.77 | Np Likeness Score: -1.28 |
| 1. PubChem BioAssay data set, |
Source(1):
