| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3527517
Max Phase: Preclinical
Molecular Formula: C14H15N3O4S
Molecular Weight: 321.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc2nccc(N[C@@H](CS)C(=O)O)c2cc1C(N)=O
Standard InChI: InChI=1S/C14H15N3O4S/c1-21-12-5-10-7(4-8(12)13(15)18)9(2-3-16-10)17-11(6-22)14(19)20/h2-5,11,22H,6H2,1H3,(H2,15,18)(H,16,17)(H,19,20)/t11-/m0/s1
Standard InChI Key: YJEAMDJZVMBVHE-NSHDSACASA-N
Associated Targets(non-human)
Cynomolgus monkey 4946 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: 321.36 | Molecular Weight (Monoisotopic): 321.0783 | AlogP: 1.14 | #Rotatable Bonds: 6 |
| Polar Surface Area: 114.54 | Molecular Species: ACID | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.40 | CX Basic pKa: 8.23 | CX LogP: -1.18 | CX LogD: -1.24 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.59 | Np Likeness Score: -0.47 |
References
| 1. Inoue K, Asai N, Mizuo H, Fukuda K, Kusano K, Yoshimura T.. (2012) Unique metabolic pathway of [(14)C]lenvatinib after oral administration to male cynomolgus monkey., 40 (4): [PMID:22207053] [10.1124/dmd.111.043281] |
Source
Source(1):