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ID: ALA2003811
Max Phase: Preclinical
Molecular Formula: C16H14Cl2N2O3
Molecular Weight: 353.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N/C(Cc1ccc(Cl)cc1)=N\OC(=O)COc1ccccc1Cl
Standard InChI: InChI=1S/C16H14Cl2N2O3/c17-12-7-5-11(6-8-12)9-15(19)20-23-16(21)10-22-14-4-2-1-3-13(14)18/h1-8H,9-10H2,(H2,19,20)
Standard InChI Key: AXIXRPKACAXTLS-UHFFFAOYSA-N
Associated Targets(non-human)
Mitochondrial import inner membrane translocase subunit TIM23 781 Activities
Mitochondrial import inner membrane translocase subunit TIM10 1435 Activities
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Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 353.21 | Molecular Weight (Monoisotopic): 352.0381 | AlogP: 3.43 | #Rotatable Bonds: 6 |
| Polar Surface Area: 73.91 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.06 | CX LogP: 3.74 | CX LogD: 3.74 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.37 | Np Likeness Score: -1.44 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):