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

CHEMBL367625

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
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL367625
Phase Preclinical
Structure Type MOL
InChI Key UTBSBSOBZHXMHI-LSDHHAIUSA-N
16
Targets
27
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

385.9
MW (Da)
3.93
ALogP
7
HBA
3
HBD
93.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24ClN7
MW 385.90
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.21

Activity Summary

IC50 26 meas. best 7.77
EC50 1 meas. best 5.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 2/cyclin E1
CHEMBL1907605
 IC50 7.77 7.675 17.0 2
Cyclin-dependent kinase 1
CHEMBL308
 IC50 7.6 7.3567 25.0 3
Cyclin-dependent kinase 5/CDK5 activator 1
CHEMBL1907600
 IC50 7.58 7.58 26.0 1
Cyclin-dependent kinase 1/cyclin B1
CHEMBL1907602
 IC50 7.51 6.92 31.0 3
CDK2/Cyclin A2
CHEMBL3038469
 IC50 7.34 7.34 46.0 1
Dual specificity protein kinase CLK4
CHEMBL4203
 IC50 6.98 6.98 104.0 1
Dual specificity protein kinase CLK2
CHEMBL4225
 IC50 6.96 6.96 111.0 1
Dual specificity protein kinase CLK1
CHEMBL4224
 IC50 6.83 6.83 148.0 1
CDK7/Cyclin H/MNAT1
CHEMBL3038473
 IC50 6.55 6.55 279.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.32 6.095 480.0 2
CDK4/Cyclin D3
CHEMBL3038472
 IC50 6.24 6.24 573.0 1
CDK9/cyclin T1
CHEMBL2111389
 IC50 5.85 5.85 1400.0 1
Epidermal growth factor receptor
CHEMBL203
 IC50 5.7 5.495 2000.0 2
Interferon-induced, double-stranded RNA-activated protein kinase
CHEMBL5785
 IC50 5.52 5.52 3000.0 1
Cyclin-dependent kinase 4/cyclin D1
CHEMBL1907601
 IC50 5.52 5.52 3000.0 1
Dual specificity protein kinase CLK1
CHEMBL4224
 EC50 5.38 5.38 4200.0 1
Protein kinase C alpha type
CHEMBL299
 IC50 4.87 4.695 13500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 2/cyclin E1 IC50 = 17.0 nM 7.77 Inhibition of CDK2/cyclin E (unknown origin) expressed in baculovirus infected i... 29089259
Cyclin-dependent kinase 1 IC50 = 25.0 nM 7.6 Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined 9990463
Cyclin-dependent kinase 2/cyclin E1 IC50 = 26.0 nM 7.58 Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus... 30234987
Cyclin-dependent kinase 5/CDK5 activator 1 IC50 = 26.0 nM 7.58 Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infe... 30234987
Cyclin-dependent kinase 1 IC50 = 31.0 nM 7.51 Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined 9990463
Cyclin-dependent kinase 1/cyclin B1 IC50 = 31.0 nM 7.51 Inhibition of CDK1/cyclin B1 (unknown origin) 30234987
CDK2/Cyclin A2 IC50 = 46.0 nM 7.34 Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichi... 30234987
Dual specificity protein kinase CLK4 IC50 = 104.0 nM 6.98 Inhibition of human CLK4 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in pre... 28049589
Cyclin-dependent kinase 1 IC50 = 110.0 nM 6.96 Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined 9990463
Dual specificity protein kinase CLK2 IC50 = 111.0 nM 6.96 Inhibition of human CLK2 using YRRAAVPPSPSLSRHSSPHQS(p)EDEEE as substrate in pre... 28049589
Cyclin-dependent kinase 1/cyclin B1 IC50 = 147.0 nM 6.83 Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculoviru... 30234987
Dual specificity protein kinase CLK1 IC50 = 148.0 nM 6.83 Inhibition of human CLK1 using substrate ERMRPRKRQGSVRRRV in presence of [gamma-... 28049589
CDK7/Cyclin H/MNAT1 IC50 = 279.0 nM 6.55 Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculov... 30234987
Cyclin-dependent kinase 1/cyclin B1 IC50 = 382.0 nM 6.42 Inhibition of human CDK1/cyclinB using Histone H1 as substrate in presence of [g... 28049589
NON-PROTEIN TARGET IC50 = 480.0 nM 6.32 Inhibition of human bladder carcinoma T24 cell proliferation 9990463
CDK4/Cyclin D3 IC50 = 573.0 nM 6.24 Inhibition of human CDK4/cyclinD3 using Histone H1 as substrate in presence of [... 28049589
NON-PROTEIN TARGET IC50 = 1350.0 nM 5.87 Inhibition of human bladder carcinoma T24 cell proliferation 9990463
CDK9/cyclin T1 IC50 = 1400.0 nM 5.85 Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus... 30234987
Epidermal growth factor receptor IC50 = 2000.0 nM 5.7 Inhibit of epidermal growth factor receptor (EGFR) 9990463
Interferon-induced, double-stranded RNA-activated protein kinase IC50 = 3000.0 nM 5.52 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 Lck 4
23398362 10.1042/bj20121418 Insulin receptor 4
28049589 10.1016/j.bmcl.2016.12.056 Dual specificity protein kinase CLK1 4
23398362 10.1042/bj20121418 Tyrosine-protein kinase HCK 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 Insulin-like growth factor 1 receptor 4
23398362 10.1042/bj20121418 Serine/threonine-protein kinase mTOR 4
9990463 10.1016/s0960-894x(98)00691-x Cyclin-dependent kinase 1 3
23398362 10.1042/bj20121418 Serine/threonine-protein kinase MARK1 2
23398362 10.1042/bj20121418 Serine/threonine-protein kinase Nek7 2
23398362 10.1042/bj20121418 Tyrosine-protein kinase ABL2 2
23398362 10.1042/bj20121418 Casein kinase I isoform gamma-3 2
23398362 10.1042/bj20121418 Calcium/calmodulin-dependent protein kinase type 1D 2
23398362 10.1042/bj20121418 Death-associated protein kinase 1 2
23398362 10.1042/bj20121418 Ephrin type-A receptor 4 2
9990463 10.1016/s0960-894x(98)00691-x Epidermal growth factor receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
9990463 10.1016/s0960-894x(98)00691-x Protein kinase C alpha type 2

Data from ChEMBL 36 via Core Engine