| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA54372
Max Phase: Preclinical
Molecular Formula: C23H17N3O4
Molecular Weight: 399.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cc(C2=C(c3cn(C)c4cc(C(=O)O)ccc34)C(=O)NC2=O)c2ccccc21
Standard InChI: InChI=1S/C23H17N3O4/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-9-12(23(29)30)7-8-14(16)18/h3-11H,1-2H3,(H,29,30)(H,24,27,28)
Standard InChI Key: BQVYRVFEBOGTBZ-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: 399.41 | Molecular Weight (Monoisotopic): 399.1219 | AlogP: 2.94 | #Rotatable Bonds: 3 |
| Polar Surface Area: 93.33 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.62 | CX Basic pKa: | CX LogP: 3.00 | CX LogD: -0.33 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.52 | Np Likeness Score: -0.22 |
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):