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Compound Detail

CHEMBL3958220

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Clc1ccccc1Nc1nc(Nc2cc(C3CC3)n[nH]2)c2nc[nH]c2n1

Basic Information

ChEMBL ID CHEMBL3958220
Phase Preclinical
Structure Type MOL
InChI Key DIGGAZXEEJOZLJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.8
MW (Da)
4.09
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.42
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 C17H15ClN8
MW 366.82
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.51

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 6.8 50.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine