| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2133406
Max Phase: Preclinical
Molecular Formula: C14H15ClN2O5
Molecular Weight: 326.74
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC[C@@]1(c2ccc(Cl)cc2)C(=O)N(C(=O)OC)N1C(=O)OC
Standard InChI: InChI=1S/C14H15ClN2O5/c1-4-14(9-5-7-10(15)8-6-9)11(18)16(12(19)21-2)17(14)13(20)22-3/h5-8H,4H2,1-3H3/t14-/m1/s1
Standard InChI Key: YNCGTYZYCWEAGS-CQSZACIVSA-N
Associated Targets(non-human)
Abhd10 Mycophenolic acid acyl-glucuronide esterase, mitochondrial (11 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: 326.74 | Molecular Weight (Monoisotopic): 326.0669 | AlogP: 2.54 | #Rotatable Bonds: 2 |
| Polar Surface Area: 76.15 | Molecular Species: | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.03 | CX LogD: 3.03 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.83 | Np Likeness Score: -0.19 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):