ID: ALA1570689
Chembl Id: CHEMBL1570689
PubChem CID: 16034452
Max Phase: Preclinical
Molecular Formula: C19H15ClN2O4
Molecular Weight: 370.79
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCOC(=O)c1cc(OC(=O)c2ccccc2Cl)n(-c2ccccc2)n1
Standard InChI: InChI=1S/C19H15ClN2O4/c1-2-25-19(24)16-12-17(22(21-16)13-8-4-3-5-9-13)26-18(23)14-10-6-7-11-15(14)20/h3-12H,2H2,1H3
Standard InChI Key: GRMRRQFJKBVYCU-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: 370.79 | Molecular Weight (Monoisotopic): 370.0720 | AlogP: 3.92 | #Rotatable Bonds: 5 |
| Polar Surface Area: 70.42 | Molecular Species: NEUTRAL | HBA: 6 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 4.96 | CX LogD: 4.96 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.64 | Np Likeness Score: -1.40 |
| 1. PubChem BioAssay data set, |
Source(1):
