ID: ALA4462648
Chembl Id: CHEMBL4462648
Cas Number: 56961-98-9
PubChem CID: 265842
Max Phase: Preclinical
Molecular Formula: C14H7ClO2
Molecular Weight: 242.66
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=C1C(=O)c2cc(Cl)ccc2-c2ccccc21
Standard InChI: InChI=1S/C14H7ClO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H
Standard InChI Key: VDSBRSKMXYUDTA-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: 242.66 | Molecular Weight (Monoisotopic): 242.0135 | AlogP: 3.39 | #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: 3.52 | CX LogD: 3.52 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.66 | Np Likeness Score: -0.25 |
| 1. (2013) Chemical agents for the prevention of inhibition or tumor metastasis, |
Source(1):
