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

CHEMBL5571201

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(NCc3ccc(-c4ccoc4)nc3)nc(N3CCOC[C@H]3CCO)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5571201
Phase Preclinical
Structure Type MOL
InChI Key UCBXGDNAAUVBDT-GOSISDBHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

449.5
MW (Da)
2.70
ALogP
10
HBA
2
HBD
114.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N7O3
MW 449.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.91

Activity Summary

IC50 2 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CDK12/Cyclin K
CHEMBL4106169
 IC50 8.52 8.52 3.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 4.42 4.42 37900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CDK12/Cyclin K IC50 = 3.0 nM 8.52 Inhibition of recombinant human CDK12/Cyclin K using RNA Pol II-CTD as substrate... 38061230
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 37900.0 nM 4.42 Inhibition of hERG by auto-patch clamp assay 38061230

Literature References

PubMed DOI Target Context # Activities
38061230 10.1016/j.ejmech.2023.116014 Unchecked 13
38061230 10.1016/j.ejmech.2023.116014 HCC1954 4
38061230 10.1016/j.ejmech.2023.116014 Cyclin-K 4
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 9 1
38061230 10.1016/j.ejmech.2023.116014 Voltage-gated inwardly rectifying potassium channel KCNH2 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 18 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 17 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 16 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 7 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 4 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 15 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 14 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 12 1
38061230 10.1016/j.ejmech.2023.116014 CDK12/Cyclin K 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 6 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 5 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 3 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 2 1
38061230 10.1016/j.ejmech.2023.116014 Cyclin-dependent kinase 1 1
38061230 10.1016/j.ejmech.2023.116014 JIMT-1 1

Data from ChEMBL 36 via Core Engine