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Compound Detail

CHEMBL3979509

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CCN1CCN(c2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C)c5)cc3)CC4)c(OC)c2)CC1

Basic Information

ChEMBL ID CHEMBL3979509
Phase Preclinical
Structure Type MOL
InChI Key GBTTYDWBVFNAEA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

575.7
MW (Da)
4.94
ALogP
10
HBA
1
HBD
89.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H37N9O
MW 575.72
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 10.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 10.05 10.05 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine