Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09UMN
|
|||
| Former ID |
DIB009535
|
|||
| Drug Name |
LEQ-506
|
|||
| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Phase 1 | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C25H32N6O
|
|||
| Canonical SMILES |
CC1CN(CCN1C2=NC=C(N=C2)C(C)(C)O)C3=NN=C(C(=C3C)C)CC4=CC=CC=C4
|
|||
| InChI |
1S/C25H32N6O/c1-17-16-30(11-12-31(17)23-15-26-22(14-27-23)25(4,5)32)24-19(3)18(2)21(28-29-24)13-20-9-7-6-8-10-20/h6-10,14-15,17,32H,11-13,16H2,1-5H3/t17-/m1/s1
|
|||
| InChIKey |
POERAARDVFVDLO-QGZVFWFLSA-N
|
|||
| CAS Number |
CAS 1204975-42-7
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Smoothened homolog (SMO) | Target Info | Inhibitor | [2], [3] |
| KEGG Pathway | Hedgehog signaling pathway | |||
| Pathways in cancer | ||||
| Proteoglycans in cancer | ||||
| Basal cell carcinoma | ||||
| Panther Pathway | Hedgehog signaling pathway | |||
| Pathway Interaction Database | Signaling events mediated by the Hedgehog family | |||
| Hedgehog signaling events mediated by Gli proteins | ||||
| Reactome | Class B/2 (Secretin family receptors) | |||
| Hedgehog 'off' state | ||||
| Activation of SMO | ||||
| WikiPathways | Hedgehog Signaling Pathway | |||
| Hair Follicle Development: Organogenesis (Part 2 of 3) | ||||
| Hair Follicle Development: Induction (Part 1 of 3) | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| GPCR ligand binding | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT01106508) A Dose Finding and Safety Study of Oral LEQ506 in Patients With Advanced Solid Tumors. U.S. National Institutes of Health. | |||
| REF 2 | Discovery of NVP-LEQ506, a second-generation inhibitor of smoothened. ChemMedChem. 2013 Aug;8(8):1261-5. | |||
| REF 3 | Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. Nat Commun. 2014 Jul 10;5:4355. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.