| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1908024
Max Phase: Preclinical
Molecular Formula: C12H12N2O4
Molecular Weight: 248.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O
Standard InChI: InChI=1S/C12H12N2O4/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18)
Standard InChI Key: IEPXMKJNWPXDBP-UHFFFAOYSA-N
Associated Targets(Human)
UDP-glucuronosyltransferase 2B7 787 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: 248.24 | Molecular Weight (Monoisotopic): 248.0797 | AlogP: 0.41 | #Rotatable Bonds: 2 |
| Polar Surface Area: 95.50 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.13 | CX Basic pKa: | CX LogP: 1.10 | CX LogD: 0.66 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.66 | Np Likeness Score: 0.42 |
References
| 1. Tukey RH, Strassburg CP.. (2000) Human UDP-glucuronosyltransferases: metabolism, expression, and disease., 40 (1): [PMID:10836148] [10.1146/annurev.pharmtox.40.1.581] |
| 2. (1999) Therapeutic Drugs, |
Source
Source(2):