| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA301323
Max Phase: Preclinical
Molecular Formula: C23H19N3O3S
Molecular Weight: 417.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cc(C2=C(c3cn(C)c4ccc([S+](C)[O-])cc34)C(=O)NC2=O)c2ccccc21
Standard InChI: InChI=1S/C23H19N3O3S/c1-25-11-16(14-6-4-5-7-18(14)25)20-21(23(28)24-22(20)27)17-12-26(2)19-9-8-13(30(3)29)10-15(17)19/h4-12H,1-3H3,(H,24,27,28)
Standard InChI Key: LSEGJFNURUHKDG-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: 417.49 | Molecular Weight (Monoisotopic): 417.1147 | AlogP: 2.97 | #Rotatable Bonds: 3 |
| Polar Surface Area: 79.09 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.71 | CX Basic pKa: | CX LogP: 2.08 | CX LogD: 2.08 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.41 | Np Likeness Score: -0.15 |
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):