| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA54674
Max Phase: Preclinical
Molecular Formula: C24H20N4O3
Molecular Weight: 412.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1ccc2c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)cn(C)c2c1
Standard InChI: InChI=1S/C24H20N4O3/c1-13(29)25-14-8-9-16-18(12-28(3)20(16)10-14)22-21(23(30)26-24(22)31)17-11-27(2)19-7-5-4-6-15(17)19/h4-12H,1-3H3,(H,25,29)(H,26,30,31)
Standard InChI Key: QZTLMPWKXJARBA-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: 412.45 | Molecular Weight (Monoisotopic): 412.1535 | AlogP: 3.20 | #Rotatable Bonds: 3 |
| Polar Surface Area: 85.13 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.71 | CX Basic pKa: | CX LogP: 2.58 | CX LogD: 2.58 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.51 | Np Likeness Score: -0.61 |
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):