ID: ALA4437981
Chembl Id: CHEMBL4437981
PubChem CID: 911914
Max Phase: Preclinical
Molecular Formula: C7H2Br2O3S
Molecular Weight: 325.96
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=c1oc2c(Br)c(O)c(Br)cc2s1
Standard InChI: InChI=1S/C7H2Br2O3S/c8-2-1-3-6(4(9)5(2)10)12-7(11)13-3/h1,10H
Standard InChI Key: UQVSVBRSYCUBMZ-UHFFFAOYSA-N
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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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 325.96 | Molecular Weight (Monoisotopic): 323.8091 | AlogP: 3.09 | #Rotatable Bonds: 0 |
| Polar Surface Area: 50.44 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.69 | CX Basic pKa: | CX LogP: 3.59 | CX LogD: 1.64 |
| Aromatic Rings: 2 | Heavy Atoms: 13 | QED Weighted: 0.81 | Np Likeness Score: -0.37 |
| 1. (2014) Inhibitors of crl4 ubiquitin ligase and uses thereof, |
Source(1):
