| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA120645
Max Phase: Preclinical
Molecular Formula: C17H25N3O2
Molecular Weight: 303.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)[C@H]1C(=O)N[C@H](CO)CC2CNc3cccc(c32)N1C
Standard InChI: InChI=1S/C17H25N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,10-12,16,18,21H,7-9H2,1-3H3,(H,19,22)/t11?,12-,16-/m0/s1
Standard InChI Key: JWVXPOMGWPAEAJ-GAKQDWLJSA-N
Associated Targets(Human)
Protein kinase C, PKC; classical/novel 71 Activities
Associated Targets(non-human)
Protein kinase C gamma 137 Activities
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Protein kinase C eta 5 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 303.41 | Molecular Weight (Monoisotopic): 303.1947 | AlogP: 1.54 | #Rotatable Bonds: 2 |
| Polar Surface Area: 64.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.26 | CX Basic pKa: 4.10 | CX LogP: 1.21 | CX LogD: 1.21 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.78 | Np Likeness Score: 1.37 |
References
| 1. Irie K, Yanai Y, Ohigashi H, Wender PA, Miller BL. (1996) Synthesis and characterization of the second cysteine-rich region of mouse skin PKCGh, 6 (4): [10.1016/0960-894X(96)00026-1] |
| 2. 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):