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Compound Detail

CHEMBL3941890

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CCN(CC)CCCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C(C)C)no2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3941890
Phase Preclinical
Structure Type MOL
InChI Key IDVUHZAXJOXYNK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.69
ALogP
9
HBA
4
HBD
119.8
PSA (Ų)
0.25
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H37N9O
MW 467.62
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
 IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 50.0 nM 7.3 Inhibition of human IGF1R kinase domain (M954 to C1367 residues) un-phosphorylat... -

Data from ChEMBL 36 via Core Engine