ID: ALA3699085
Chembl Id: CHEMBL3699085
PubChem CID: 91669040
Max Phase: Preclinical
Molecular Formula: C33H46N4O6Si
Molecular Weight: 622.84
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC(=O)N[C@H]1CC[C@H]2[C@@H]1[C@H](N/C(=N/C(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C[C@@H]2O[Si](C)(C)C(C)(C)C
Standard InChI: InChI=1S/C33H46N4O6Si/c1-22(38)34-26-18-17-25-28(43-44(5,6)33(2,3)4)19-27(29(25)26)35-30(36-31(39)41-20-23-13-9-7-10-14-23)37-32(40)42-21-24-15-11-8-12-16-24/h7-16,25-29H,17-21H2,1-6H3,(H,34,38)(H2,35,36,37,39,40)/t25-,26+,27-,28+,29+/m1/s1
Standard InChI Key: MOUKUQINTWWSSI-ZCCUTQAASA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 622.84 | Molecular Weight (Monoisotopic): 622.3187 | AlogP: ┄ | #Rotatable Bonds: ┄ |
| Polar Surface Area: ┄ | Molecular Species: ┄ | HBA: ┄ | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. (2014) Synthesis of bicyclic compounds and method for their use as therapeutic agents, |
Source(1):
