| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3633804
Max Phase: Preclinical
Molecular Formula: C22H21N7O3
Molecular Weight: 431.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1c(=O)c2c(nc3n2[C@H](CC(=O)Nc2ccc(-c4ccccc4)nn2)CC3)n(C)c1=O
Standard InChI: InChI=1S/C22H21N7O3/c1-27-20-19(21(31)28(2)22(27)32)29-14(8-11-17(29)24-20)12-18(30)23-16-10-9-15(25-26-16)13-6-4-3-5-7-13/h3-7,9-10,14H,8,11-12H2,1-2H3,(H,23,26,30)/t14-/m0/s1
Standard InChI Key: ORFRGFFYCPFNGP-AWEZNQCLSA-N
Associated Targets(Human)
Probable protein-cysteine N-palmitoyltransferase porcupine 135 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: 431.46 | Molecular Weight (Monoisotopic): 431.1706 | AlogP: 1.41 | #Rotatable Bonds: 4 |
| Polar Surface Area: 116.70 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.30 | CX Basic pKa: 1.91 | CX LogP: 1.44 | CX LogD: 1.44 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.52 | Np Likeness Score: -1.49 |
References
| 1. Ho SY, Keller TH.. (2015) The use of porcupine inhibitors to target Wnt-driven cancers., 25 (23): [PMID:26522946] [10.1016/j.bmcl.2015.10.032] |
Source
Source(1):