| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA431133
Max Phase: Preclinical
Molecular Formula: C19H13BrN2O2
Molecular Weight: 381.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cc(C2=C(c3cccc(Br)c3)C(=O)NC2=O)c2ccccc21
Standard InChI: InChI=1S/C19H13BrN2O2/c1-22-10-14(13-7-2-3-8-15(13)22)17-16(18(23)21-19(17)24)11-5-4-6-12(20)9-11/h2-10H,1H3,(H,21,23,24)
Standard InChI Key: KDOTZTCOVSLYKO-UHFFFAOYSA-N
Associated Targets(non-human)
Protein kinase C gamma 137 Activities
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 |
|---|
Properties
| Molecular Weight: 381.23 | Molecular Weight (Monoisotopic): 380.0160 | AlogP: 3.51 | #Rotatable Bonds: 2 |
| Polar Surface Area: 51.10 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.87 | CX Basic pKa: | CX LogP: 3.79 | CX LogD: 3.79 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.69 | Np Likeness Score: -0.45 |
References
| 1. Davis PD, Hill CH, Lawton G, Nixon JS, Wilkinson SE, Hurst SA, Keech E, Turner SE.. (1992) Inhibitors of protein kinase C. 1. 2,3-Bisarylmaleimides., 35 (1): [PMID:1732526] [10.1021/jm00079a024] |
Source
Source(1):