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Compound Detail

CHEMBL3928243

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Cn1cc(-c2cccc(Cc3c4c(nn3C)CCc3cnc(Nc5ccn(CCCN6CCCC6)n5)nc3-4)c2)cn1

Basic Information

ChEMBL ID CHEMBL3928243
Phase Preclinical
Structure Type MOL
InChI Key WFXSEBKHQBTMMS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

548.7
MW (Da)
4.39
ALogP
10
HBA
1
HBD
94.5
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36N10
MW 548.70
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 10.1 10.1 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine