| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4277926
Max Phase: Preclinical
Molecular Formula: C38H49N3O5
Molecular Weight: 627.83
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CC1CC1)C(C)C
Standard InChI: InChI=1S/C38H49N3O5/c1-25(2)36(41-34(43)22-30-18-19-30)38(45)39-31(20-28-14-7-5-8-15-28)23-33(42)32(21-29-16-9-6-10-17-29)40-35(44)24-46-37-26(3)12-11-13-27(37)4/h5-17,25,30-33,36,42H,18-24H2,1-4H3,(H,39,45)(H,40,44)(H,41,43)/t31-,32-,33-,36-/m0/s1
Standard InChI Key: XXFXTHGBXLNVRR-RKNDVXSYSA-N
Associated Targets(Human)
CAAX prenyl protease 1 homolog 44 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: 627.83 | Molecular Weight (Monoisotopic): 627.3672 | AlogP: 4.83 | #Rotatable Bonds: 17 |
| Polar Surface Area: 116.76 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.68 | CX Basic pKa: | CX LogP: 5.65 | CX LogD: 5.65 |
| Aromatic Rings: 3 | Heavy Atoms: 46 | QED Weighted: 0.17 | Np Likeness Score: -0.12 |
References
| 1. Matralis AN, Xanthopoulos D, Huot G, Lopes-Paciencia S, Cole C, de Vries H, Ferbeyre G, Tsantrizos YS.. (2018) Molecular tools that block maturation of the nuclear lamin A and decelerate cancer cell migration., 26 (20): [PMID:30309670] [10.1016/j.bmc.2018.10.001] |
Source
Source(1):