ID: ALA4585473
Chembl Id: CHEMBL4585473
Cas Number: 683783-80-4
PubChem CID: 3616320
Max Phase: Preclinical
Molecular Formula: C10H6Cl2O5S
Molecular Weight: 309.13
Molecule Type: Unknown
Associated Items:
Canonical SMILES: CCOC(=O)Oc1c(Cl)cc2oc(=O)sc2c1Cl
Standard InChI: InChI=1S/C10H6Cl2O5S/c1-2-15-9(13)17-7-4(11)3-5-8(6(7)12)18-10(14)16-5/h3H,2H2,1H3
Standard InChI Key: OAYQQSYWHCMOSP-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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: 309.13 | Molecular Weight (Monoisotopic): 307.9313 | AlogP: 3.70 | #Rotatable Bonds: 2 |
| Polar Surface Area: 65.74 | Molecular Species: | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.97 | CX LogD: 3.97 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.62 | Np Likeness Score: -0.64 |
| 1. (2014) Inhibitors of crl4 ubiquitin ligase and uses thereof, |
Source(1):
