The store will not work correctly when cookies are disabled.
SID24793965
ID: ALA1546199
Chembl Id: CHEMBL1546199
PubChem CID: 721643
Max Phase: Preclinical
Molecular Formula: C13H10BrN3O
Molecular Weight: 304.15
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: Cc1cc(-c2ccccc2)nc2c(Br)c(=O)[nH]n12
Standard InChI: InChI=1S/C13H10BrN3O/c1-8-7-10(9-5-3-2-4-6-9)15-12-11(14)13(18)16-17(8)12/h2-7H,1H3,(H,16,18)
Standard InChI Key: QPEZDIGJFPQFOH-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Calculated Properties
| Molecular Weight: 304.15 | Molecular Weight (Monoisotopic): 303.0007 | AlogP: 2.76 | #Rotatable Bonds: 1 |
| Polar Surface Area: 50.16 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 5.91 | CX Basic pKa: 2.92 | CX LogP: 2.35 | CX LogD: 1.50 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.75 | Np Likeness Score: -1.16 |
References
| 1. PubChem BioAssay data set, |
