| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2448549
Max Phase: Preclinical
Molecular Formula: C19H34O
Molecular Weight: 278.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C
Standard InChI: InChI=1S/C19H34O/c1-17(2,3)16(20)15-12-8-9-13-14(12)18(4,5)10-7-11-19(13,15)6/h12-16,20H,7-11H2,1-6H3/t12-,13+,14-,15+,16+,19-/m0/s1
Standard InChI Key: LMJXVUUPTOQKFE-MXRIDLRBSA-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: 278.48 | Molecular Weight (Monoisotopic): 278.2610 | AlogP: 4.88 | #Rotatable Bonds: 1 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.83 | CX LogD: 4.83 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.72 | Np Likeness Score: 2.20 |
References
| 1. Bichlmaier I, Kurkela M, Joshi T, Siiskonen A, Rüffer T, Lang H, Suchanova B, Vahermo M, Finel M, Yli-Kauhaluoma J.. (2007) Isoform-selective inhibition of the human UDP-glucuronosyltransferase 2B7 by isolongifolol derivatives., 50 (11): [PMID:17474732] [10.1021/jm061204e] |
Source
Source(1):