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Compound Detail

CHEMBL1222710

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O=C(c1ccc(F)nc1)N1CCC[C@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1222710
Phase Preclinical
Structure Type MOL
InChI Key XXGADWBTSMHVDF-INIZCTEOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
3.58
ALogP
7
HBA
2
HBD
104.1
PSA (Ų)
0.47
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 C22H21FN8O
MW 432.46
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.73

Activity Summary

IC50 2 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
 IC50 8.15 7.47 7.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 7.0 nM 8.15 Inhibition of IGF1R 20675137
Insulin-like growth factor 1 receptor IC50 = 162.0 nM 6.79 Inhibition of IGF1R in IGF1R-SAL cells 20675137

Literature References

PubMed DOI Target Context # Activities
20675137 10.1016/j.bmcl.2010.07.045 Insulin-like growth factor 1 receptor 2
20675137 10.1016/j.bmcl.2010.07.045 ADMET 1

Data from ChEMBL 36 via Core Engine