| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA133777
Max Phase: Preclinical
Molecular Formula: C27H37NO4
Molecular Weight: 439.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCC(=O)Oc1ccc(C2[C@@H](C(C)C)C(=O)N[C@@H]2CO)c2ccccc12
Standard InChI: InChI=1S/C27H37NO4/c1-4-5-6-7-8-9-14-24(30)32-23-16-15-21(19-12-10-11-13-20(19)23)26-22(17-29)28-27(31)25(26)18(2)3/h10-13,15-16,18,22,25-26,29H,4-9,14,17H2,1-3H3,(H,28,31)/t22-,25-,26?/m1/s1
Standard InChI Key: PDWIIPAKZFCLHW-NQXVELOOSA-N
Associated Targets(non-human)
Protein kinase C alpha 47 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: 439.60 | Molecular Weight (Monoisotopic): 439.2723 | AlogP: 5.34 | #Rotatable Bonds: 11 |
| Polar Surface Area: 75.63 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.07 | CX Basic pKa: | CX LogP: 5.53 | CX LogD: 5.53 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.28 | Np Likeness Score: 0.58 |
References
| 1. Sridhar J, Wei ZL, Nowak I, Lewin NE, Ayres JA, Pearce LV, Blumberg PM, Kozikowski AP.. (2003) New bivalent PKC ligands linked by a carbon spacer: enhancement in binding affinity., 46 (19): [PMID:12954072] [10.1021/jm0302041] |
Source
Source(1):