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

CHEMBL256072

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(N2CCOCC2)cc2[nH]c(-c3c(NCCc4ncn(C)c4Cl)cc[nH]c3=O)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256072
Phase Preclinical
Structure Type MOL
InChI Key GLISBSFAODYFPL-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
3
PK Parameters
9
Publications
0
Known Names

Molecular Properties

468.0
MW (Da)
3.10
ALogP
7
HBA
3
HBD
103.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26ClN7O2
MW 467.96
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.20

Activity Summary

IC50 5 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
 IC50 7.42 7.1033 38.0 3
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.42 6.42 376.0 1
Cytochrome P450 3A4
CHEMBL340
 IC50 5.72 5.72 1900.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 3837272.0 ng.hr.mL-1 Mus musculus
AUC 42116.4 ng.hr.mL-1 Mus musculus
Fu 0.059 - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 38.0 nM 7.42 Inhibition of IGF1R 18258427
Insulin-like growth factor 1 receptor IC50 = 38.0 nM 7.42 Inhibition of human recombinant IGF-1R tyrosine kinase expressed in baculovirus ... 20153189
Insulin-like growth factor 1 receptor IC50 = 336.0 nM 6.47 Inhibition of IGF1R expressed in SAL cells 18258427
NON-PROTEIN TARGET IC50 = 376.0 nM 6.42 Antiproliferative activity against mouse Sal cells expressing human IGF-1R asses... 20153189
Cytochrome P450 3A4 IC50 = 1900.0 nM 5.72 Inhibition of CYP3A4 after 20 mins by BFC fluorescence assay 20153189

Literature References

PubMed DOI Target Context # Activities
18258427 10.1016/j.bmcl.2008.01.049 Serum 2
18258427 10.1016/j.bmcl.2008.01.049 Insulin-like growth factor 1 receptor 2
20153189 10.1016/j.bmcl.2010.01.087 Plasma 2
18258427 10.1016/j.bmcl.2008.01.049 Mus musculus 1
20153189 10.1016/j.bmcl.2010.01.087 Insulin-like growth factor 1 receptor 1
20153189 10.1016/j.bmcl.2010.01.087 Nuclear receptor subfamily 1 group I member 2 1
20153189 10.1016/j.bmcl.2010.01.087 Cytochrome P450 3A4 1
20153189 10.1016/j.bmcl.2010.01.087 NON-PROTEIN TARGET 1
20153189 10.1016/j.bmcl.2010.01.087 Mus musculus 1

Data from ChEMBL 36 via Core Engine