ID: ALA4442350
Chembl Id: CHEMBL4442350
Cas Number: 5412-84-0
PubChem CID: 221527
Max Phase: Preclinical
Molecular Formula: C14H8Cl2O
Molecular Weight: 263.12
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=C1c2ccccc2-c2ccccc2C1(Cl)Cl
Standard InChI: InChI=1S/C14H8Cl2O/c15-14(16)12-8-4-3-6-10(12)9-5-1-2-7-11(9)13(14)17/h1-8H
Standard InChI Key: QANSXTMDJJDZDU-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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: 263.12 | Molecular Weight (Monoisotopic): 261.9952 | AlogP: 4.18 | #Rotatable Bonds: ┄ |
| Polar Surface Area: 17.07 | Molecular Species: ┄ | HBA: 1 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 1 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 4.67 | CX LogD: 4.67 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.65 | Np Likeness Score: 0.20 |
| 1. (2013) Chemical agents for the prevention of inhibition or tumor metastasis, |
Source(1):
