| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA143453
Max Phase: Preclinical
Molecular Formula: C24H35N3O2
Molecular Weight: 397.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)[C@@H]1Nc2c3c(cc4[nH]cc(c24)C[C@@H](CO)NC1=O)C(C)(C)CCC3(C)C
Standard InChI: InChI=1S/C24H35N3O2/c1-13(2)20-22(29)26-15(12-28)9-14-11-25-17-10-16-19(21(27-20)18(14)17)24(5,6)8-7-23(16,3)4/h10-11,13,15,20,25,27-28H,7-9,12H2,1-6H3,(H,26,29)/t15-,20-/m0/s1
Standard InChI Key: HHLKZSJXDAZIGG-YWZLYKJASA-N
Associated Targets(Human)
Protein kinase C, PKC; classical/novel 71 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: 397.56 | Molecular Weight (Monoisotopic): 397.2729 | AlogP: 3.99 | #Rotatable Bonds: 2 |
| Polar Surface Area: 77.15 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.20 | CX Basic pKa: 1.09 | CX LogP: 3.93 | CX LogD: 3.93 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.62 | Np Likeness Score: 1.60 |
References
| 1. Webb RR, Venuti MC. (1992) Synthesis and biological activity of a 5,6-substituted teleocidin, 2 (5): [10.1016/S0960-894X(00)80169-9] |
Source
Source(1):