General
Preferred name
SELICICLIB
Synonyms
Roscovitine ()
Rosovitine, CYC-202, AL-39256 ()
Seliciclib, CYC202 ()
CYC202 ()
R-roscovitine ()
(R)-Roscovitine ()
Roscovitine (Seliciclib) ()
Roscovitine (Seliciclib, CYC202) ()
AL-39256 ()
CYC-202 ()
NSC-701554 ()
ROSCOVITIN ()
Roscovitine (CYC202) ()
Seliciclib, R-roscovitine ()
P&D ID
PD011113
CAS
186692-46-6
Tags
drug candidate
natural product
available
Drug indication
Solid tumour/cancer
Non-small-cell lung cancer
Nasopharyngeal carcinoma
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Seliciclib inhibits cyclin-dependent kinases (CDKs) 2, 7 and 9. (GtoPdb)
DESCRIPTION PDE4 inhibitor. More active enantiomer of rolipram (Cat. No. 0905) (Tocris Bioactive Compound Library)
DESCRIPTION Seliciclib is an orally bioavailable, small-molecule cyclin-dependent kinase (CDK) inhibitor with potential proapoptotic and antineoplastic activities. Seliciclib primarily inhibits CDK2/E, CDK2/A, CDK7 and CDK9 by competing for their ATP binding sites, leading to a disruption of cell cycle progression. In addition, this agent appears to interfere with CDK-mediated phosphorylation of the carboxy-terminal domain of RNA polymerase II, inhibiting RNA polymerase II-dependent transcription, which may result in the down-regulation of antiapoptotic proteins such as induced myeloid leukemia cell differentiation protein Mcl-1. CDKs, serine/threonine kinases that play an important role in cell cycle regulation, are overexpressed in various malignancies. Mcl-1 belongs to the Bcl-2 family of antiapoptotic proteins and is a protein crucial to the survival of a range of tumor cell types. (BOC Sciences Bioactive Compounds)
Cell lines
236
Organisms
5
Compound Sets
25
AdooQ Bioactive Compound Library
A10806
BOC Sciences Bioactive Compounds
seliciclib-cas-186692-46-6-item-84-86385
Cayman Chemical Bioactives
10009569
CDK inhibitor database (CDKiDB)
ChEMBL Drugs
CHEMBL14762
Clinical kinase drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB06195
DrugMAP
DMSH108
EU-OPENSCREEN Bioactive Compound Library
EOS101745
Guide to Pharmacology
6035
LINCS compound set
10001-101
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL14762
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL14762
Mcule NIBR MoA Box Subset
MCULE-8307455670
MedChem Express Bioactive Compound Library
HY-30237
Novartis Chemogenetic Library (NIBR MoA Box)
Pandemic Response Box
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
Roscovitine
TargetMol Bioactive Compound Library
T2095
Tocris Bioactive Compound Library
1332
Welcome Trust Cancer Drugs
110
External IDs
32
Properties
(calculated by RDKit )
Molecular Weight
354.22
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
8
Ring Count
3
Aromatic Ring Count
3
cLogP
3.2
TPSA
87.89
Fraction CSP3
0.42
Chiral centers
1.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cell Cycle
Cell Cycle/Checkpoint
Cell Cycle/DNA Damage
Target
CDK family
Cdc2/CyclinB
CDK2/CyclinA
CDK2/CyclinE
CDK5/p35
CDK2, CDK9
CDK2
CDK7
CDK9
Targets
CDK1,CDK2,CDK5
Primary Target
Cyclin-Dependent Protein Kinases
MOA
CDK
Inhibitor
CDK Inhibitors
CDK inhibitor
Member status
member
Source data