ID: ALA4555337
Chembl Id: CHEMBL4555337
PubChem CID: 265855
Max Phase: Preclinical
Molecular Formula: C14H6Cl2O2
Molecular Weight: 277.11
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=C1C(=O)c2cc(Cl)ccc2-c2ccc(Cl)cc21
Standard InChI: InChI=1S/C14H6Cl2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6H
Standard InChI Key: FQIUZIVUKRTTMT-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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: 277.11 | Molecular Weight (Monoisotopic): 275.9745 | AlogP: 4.04 | #Rotatable Bonds: ┄ |
| Polar Surface Area: 34.14 | Molecular Species: ┄ | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 4.13 | CX LogD: 4.13 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.68 | Np Likeness Score: -0.21 |
| 1. (2013) Chemical agents for the prevention of inhibition or tumor metastasis, |
Source(1):
