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ID: ALA1613350
Max Phase: Preclinical
Molecular Formula: C4H8Cl2O
Molecular Weight: 143.01
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: ClCCOCCCl
Standard InChI: InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
Standard InChI Key: ZNSMNVMLTJELDZ-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| Natural Product: Yes | 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 143.01 | Molecular Weight (Monoisotopic): 141.9952 | AlogP: 1.48 | #Rotatable Bonds: 4 |
| Polar Surface Area: 9.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.45 | CX LogD: 1.45 |
| Aromatic Rings: 0 | Heavy Atoms: 7 | QED Weighted: 0.43 | Np Likeness Score: -0.51 |
References
| 1. PubChem BioAssay data set, |
| 2. PubChem BioAssay data set, |
| 3. PubChem BioAssay data set, |
| 4. PubChem BioAssay data set, |
