ID: ALA4475993
Chembl Id: CHEMBL4475993
Cas Number: 75822-35-4
PubChem CID: 4541591
Max Phase: Preclinical
Molecular Formula: C11H8BrNO3
Molecular Weight: 282.09
Molecule Type: Unknown
Associated Items:
Canonical SMILES: CC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21
Standard InChI: InChI=1S/C11H8BrNO3/c1-6(14)5-13-9-3-2-7(12)4-8(9)10(15)11(13)16/h2-4H,5H2,1H3
Standard InChI Key: VGVMSWNPMWWYRF-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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 282.09 | Molecular Weight (Monoisotopic): 280.9688 | AlogP: 1.57 | #Rotatable Bonds: 2 |
| Polar Surface Area: 54.45 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.39 | CX LogD: 1.39 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.77 | Np Likeness Score: -0.78 |
| 1. (2014) Inhibitors of crl4 ubiquitin ligase and uses thereof, |
Source(1):
