| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4277068
Max Phase: Preclinical
Molecular Formula: C29H33N2O7P
Molecular Weight: 552.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H](NC(=O)C(Cc1ccccc1)CP(=O)(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O
Standard InChI: InChI=1S/C29H33N2O7P/c1-21(28(33)34)30-27(32)25(17-22-11-5-2-6-12-22)20-39(36,37)26(18-23-13-7-3-8-14-23)31-29(35)38-19-24-15-9-4-10-16-24/h2-16,21,25-26H,17-20H2,1H3,(H,30,32)(H,31,35)(H,33,34)(H,36,37)/t21-,25?,26+/m0/s1
Standard InChI Key: WTLVZPORKGWOHD-PYOKFVPOSA-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: 552.56 | Molecular Weight (Monoisotopic): 552.2025 | AlogP: 4.20 | #Rotatable Bonds: 13 |
| Polar Surface Area: 142.03 | Molecular Species: ACID | HBA: 5 | HBD: 4 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 1.54 | CX Basic pKa: | CX LogP: 3.96 | CX LogD: -1.56 |
| Aromatic Rings: 3 | Heavy Atoms: 39 | QED Weighted: 0.23 | Np Likeness Score: -0.05 |
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):