| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3633800
Max Phase: Preclinical
Molecular Formula: C23H19FN4O3S3
Molecular Weight: 514.63
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(F)ccc1-n1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2c(c1=O)SCC2
Standard InChI: InChI=1S/C23H19FN4O3S3/c1-12-3-5-14-18(9-12)34-22(25-14)27-19(29)11-33-23-26-15-7-8-32-20(15)21(30)28(23)16-6-4-13(24)10-17(16)31-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,25,27,29)
Standard InChI Key: RIVSGEWCBGGFHU-UHFFFAOYSA-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: 514.63 | Molecular Weight (Monoisotopic): 514.0603 | AlogP: 4.68 | #Rotatable Bonds: 6 |
| Polar Surface Area: 86.11 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.82 | CX Basic pKa: | CX LogP: 4.95 | CX LogD: 4.82 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.30 | Np Likeness Score: -2.72 |
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):