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Compound Detail

CHEMBL3704010

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C/C(=N\O)c1ccc2nnc(Sc3ccc4ncc(CN5CCOCC5)cc4c3)n2c1

Basic Information

ChEMBL ID CHEMBL3704010
Phase Preclinical
Structure Type MOL
InChI Key VGFNLJRXACCWGL-CVKSISIWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
3.46
ALogP
9
HBA
1
HBD
88.1
PSA (Ų)
0.29
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 C22H22N6O2S
MW 434.53
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.99

Activity Summary

IC50 1 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.08 7.08 83.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine