ID: ALA3653656
Chembl Id: CHEMBL3653656
Cas Number: 112749-49-2
PubChem CID: 15628904
Max Phase: Preclinical
Molecular Formula: C11H8BrNO2
Molecular Weight: 266.09
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C1C=C(Br)C(=O)N1Cc1ccccc1
Standard InChI: InChI=1S/C11H8BrNO2/c12-9-6-10(14)13(11(9)15)7-8-4-2-1-3-5-8/h1-6H,7H2
Standard InChI Key: LLBVECSKMXUDOT-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: Small molecule | 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: 266.09 | Molecular Weight (Monoisotopic): 264.9738 | AlogP: 1.83 | #Rotatable Bonds: 2 |
| Polar Surface Area: 37.38 | Molecular Species: ┄ | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 1.87 | CX LogD: 1.87 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.77 | Np Likeness Score: -0.35 |
| 1. (2014) Small molecule inhibitors of RGS proteins, |
Source(1):
