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Compound Detail

CHEMBL3958377

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CC(C)c1cc(Nc2ccnc(NCc3cc(-c4ccccc4)no3)n2)[nH]n1

Basic Information

ChEMBL ID CHEMBL3958377
Phase Preclinical
Structure Type MOL
InChI Key XMBRWAUBBVRCKX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
4.33
ALogP
7
HBA
3
HBD
104.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N7O
MW 375.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.80

Activity Summary

IC50 2 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 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine