Roscovitine

Basic Information

CAS ID: 186692-46-6
Molecular Formula: C19H26N6O
Molecular Weight: 354.5 g/mol
Monoisotopic Mass: 354.2168 g/mol
Class: Small Molecule
Natural Product: No
Other Names: AL-39256 | SELICICLIB | CYC-202
Analysis: Drug repositioning mechanism analysis

OH NH N NH N N N

Compound Structure and Identifier

InChI: InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 See All
InChI Key: BTIHMVBBUGXLCJ-OAHLLOKOSA-N
Smiles: CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0378 Cyclin-dependent-like kinase 5 inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 29535807 Target ID T0378
Uniprot ID Cyclin-dependent-like kinase 5 Name Cyclin-dependent-like kinase 5
Model vitro,mice Fibrosis Disease Systemic sclerosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting TGF-ß-CDK5 axis

Trial Record 1

ClinicalTrial ID NCT02649751 Disease Cystic fibrosis
Phase Phase 2 Status Terminated
First Received January 7, 2016 Last Verified December 13, 2018
Sponsor University Hospital, Brest

Related Link

PubChem: 160355
ChEMBL: CHEMBL14762