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Compound Detail

CHEMBL5820937

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OC[C@@H](O)CNCc1ccn2nc(-c3ccccn3)nc(Nc3ccncc3F)c12

Basic Information

ChEMBL ID CHEMBL5820937
Phase Preclinical
Structure Type MOL
InChI Key FVJODNBTCUGTJZ-AWEZNQCLSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
1.51
ALogP
9
HBA
4
HBD
120.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20FN7O2
MW 409.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.42

Activity Summary

IC50 2 meas. best 9.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 9.08 9.08 0.8 1
TGF-beta receptor type-2
CHEMBL4267
IC50 6.33 6.33 470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine