General
Preferred name
BMS-863233
Synonyms
XL413 (hydrochloride) ()
XL413 ()
BMS-863233 Hydrochloride ()
XL413 hydrochloride ()
XL 413 hydrochloride ()
BMS-863233 (XL-413) ()
BMS-863233 (monohydrochloride) ()
XL413 (monohydrochloride) ()
BMS-863233 HCl ()
XL413 (BMS-863233) ()
P&D ID
PD038908
CAS
1169562-71-3
1169558-38-6
2062200-97-7
Tags
available
drug candidate
Drug indication
Haematological malignancy
Drug Status
investigational
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 XL413 was developed as a selective inhibitor of cell division cycle 7 (CDC7) and was investigated for its antineoplastic effects. (GtoPdb)
DESCRIPTION Potent and selective cdk inhibitor; orally bioavailable (Tocris Bioactive Compound Library)
DESCRIPTION BMS-863233, also known as XL-413, is an orally bioavailable cell division cycle 7 homolog (CDC7) kinase inhibitor with potential antineoplastic activity. CDC7 kinase inhibitor BMS-863233 binds to and inhibits the activity of CDC7, which may result in the inhibition of DNA replication and mitosis, the induction of tumor cell apoptosis, and the inhibition of tumor cell proliferation in CDC7-overexpressing tumor cells. CDC7, a serine-threonine kinase overexpressed in a variety of tumor cell types, plays an essential role in the initiation of DNA replication by activating origins of replication. Check for active clinical trials or closed clinical trials using this agent. (BOC Sciences Bioactive Compounds)
DESCRIPTION XL413 is a potent and selective Cdc7 inhibitor with an IC50 of 3.7 nM, with a 60-fold selectivity against CK2,10-fold selectivity against PIM, and 300-fold selectivity against a panel of over 100 protein kinases. (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
0
Compound Sets
19
AdooQ Bioactive Compound Library
A13677
Axon Medchem Screening Library
2268
BOC Sciences Bioactive Compounds
bms-863233-hcl-cas-1169562-71-3-item-84-457231
xl413-cas-1169558-38-6-item-84-457230
Cayman Chemical Bioactives
24906
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB12357
DrugMAP
DM5HUY8
EU-OPENSCREEN Bioactive Compound Library
EOS100792
Guide to Pharmacology
8113
JUMP-MOA Compound Set
57899889
LINCS compound set
10389-102
MedChem Express Bioactive Compound Library
HY-15260A
HY-15260
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
xl413-bms-863233
TargetMol Bioactive Compound Library
T6735
Tocris Bioactive Compound Library
5493
ZINC Tool Compounds
ZINC000084668615
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
289.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
3
cLogP
2.75
TPSA
70.92
Fraction CSP3
0.29
Chiral centers
1.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
CDK
CK2
Cdc7
Pim1
CDC7, PIM1
CDC7 inhibitor
Pathway
Cell Cycle/DNA Damage
Chromatin/Epigenetic
Metabolism
Cell Cycle/Checkpoint
JAK/STAT Signaling
Stem Cells
GPCR/G protein
Primary Target
Other Kinases
MOA
Casein Kinase inhibitor
CDK inhibitor
Pim inhibitor
Inhibitor
CDC inhibitor
Source data