Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL359482

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)n[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL359482
Phase Preclinical
Structure Type MOL
InChI Key JYCUVOXSZBECAY-UHFFFAOYSA-N
15
Targets
19
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
4.07
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H15N5
MW 301.35
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.57

Activity Summary

IC50 11 meas. best 7.55
Ki 8 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 7.66 7.66 22.0 2
Glycogen synthase kinase-3
CHEMBL2095188
 Ki 7.62 7.62 24.0 1
Unchecked
CHEMBL612545
 Ki 7.62 7.62 24.0 1
Aurora kinase A
CHEMBL4722
 IC50 7.55 7.55 28.0 1
Aurora kinase A
CHEMBL4722
 Ki 7.24 7.24 58.0 2
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 Ki 7.09 7.09 81.0 2
Aurora kinase B
CHEMBL2185
 IC50 6.07 6.07 858.0 1
HeLa
CHEMBL399
 IC50 6.05 6.05 883.0 1
COLO 205
CHEMBL614561
 IC50 5.85 5.85 1400.0 1
SK-BR-3
CHEMBL613834
 IC50 5.59 5.59 2540.0 1
MDA-MB-231
CHEMBL400
 IC50 5.54 5.54 2880.0 1
K562
CHEMBL385
 IC50 5.52 5.52 2990.0 1
MOLT-4
CHEMBL614177
 IC50 5.29 5.29 5150.0 1
MCF7
CHEMBL387
 IC50 5.21 5.21 6160.0 1
DU-145
CHEMBL613508
 IC50 5.1 5.1 7990.0 1
Interferon-induced, double-stranded RNA-activated protein kinase
CHEMBL5785
 IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta Ki = 22.0 nM 7.66 Inhibition of GSK3-beta 19447622
Glycogen synthase kinase-3 beta Ki = 22.0 nM 7.66 Inhibition of Gsk3beta 19320489
Unchecked Ki = 24.0 nM 7.62 Inhibition of GSK3 18077363
Glycogen synthase kinase-3 Ki = 24.0 nM 7.62 Inhibition of Glycogen synthase kinase-3 15715498
Aurora kinase A IC50 = 28.0 nM 7.55 Inhibition of Aurora A (unknown origin) using FAM-labelled peptide as substrate ... 30196060
Aurora kinase A Ki = 58.0 nM 7.24 Inhibition of Aurora-A by coupled assay 19447622
Aurora kinase A Ki = 58.0 nM 7.24 Inhibition of aurora A kinase 19320489
Proto-oncogene tyrosine-protein kinase Src Ki = 81.0 nM 7.09 Inhibition of Src 19447622
Proto-oncogene tyrosine-protein kinase Src Ki = 81.0 nM 7.09 Inhibition of Src 19320489
Aurora kinase B IC50 = 858.0 nM 6.07 Inhibition of Aurora B (unknown origin) using FAM-labelled peptide as substrate ... 30196060
HeLa IC50 = 883.0 nM 6.05 Antiproliferative activity against human HeLa cells after 48 hrs by CCK8 assay 30196060
COLO 205 IC50 = 1400.0 nM 5.85 Antiproliferative activity against human COLO205 cells assessed as inhibition of... 19320489
SK-BR-3 IC50 = 2540.0 nM 5.59 Antiproliferative activity against human SKBR3 cells after 48 hrs by CCK8 assay 30196060
MDA-MB-231 IC50 = 2880.0 nM 5.54 Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by CCK8 a... 30196060
K562 IC50 = 2990.0 nM 5.52 Antiproliferative activity against human K562 cells after 48 hrs by CCK8 assay 30196060
MOLT-4 IC50 = 5150.0 nM 5.29 Antiproliferative activity against human MOLT4 cells after 48 hrs by CCK8 assay 30196060
MCF7 IC50 = 6160.0 nM 5.21 Antiproliferative activity against human MCF7 cells after 48 hrs by CCK8 assay 30196060
DU-145 IC50 = 7990.0 nM 5.1 Antiproliferative activity against human DU145 cells after 48 hrs by CCK8 assay 30196060
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 15000.0 nM 4.82 Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10... 21632247

Literature References

PubMed DOI Target Context # Activities
23398362 10.1042/bj20121418 Tyrosine-protein kinase HCK 4
23398362 10.1042/bj20121418 Insulin receptor 4
23398362 10.1042/bj20121418 Insulin-like growth factor 1 receptor 4
23398362 10.1042/bj20121418 Cyclin-dependent kinase 5/CDK5 activator 1 4
23398362 10.1042/bj20121418 Protein kinase C beta type 4
23398362 10.1042/bj20121418 cGMP-dependent protein kinase 1 4
23398362 10.1042/bj20121418 Serine/threonine-protein kinase mTOR 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase Lck 4
23398362 10.1042/bj20121418 Ephrin type-A receptor 4 2
23398362 10.1042/bj20121418 Death-associated protein kinase 1 2
23398362 10.1042/bj20121418 Calcium/calmodulin-dependent protein kinase type 1D 2
23398362 10.1042/bj20121418 Tyrosine-protein kinase ABL2 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase Nek7 2
23398362 10.1042/bj20121418 SRSF protein kinase 3 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase MARK1 2
23398362 10.1042/bj20121418 Mitogen-activated protein kinase 10 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase 4 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase NLK 2
23398362 10.1042/bj20121418 Inhibitor of nuclear factor kappa-B kinase subunit alpha 2
23398362 10.1042/bj20121418 Aurora kinase A 2

Data from ChEMBL 36 via Core Engine