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Compound Detail

CHEMBL3703992

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c1cc2ncc(N3CCOCC3)cc2cc1Sc1nnc2ccc(-c3cn[nH]c3)cn12

Basic Information

ChEMBL ID CHEMBL3703992
Phase Preclinical
Structure Type MOL
InChI Key PYICCQVWUOKFSY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
3.66
ALogP
8
HBA
1
HBD
84.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N7OS
MW 429.51
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -2.30

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.7 8.7 2.0 1
Phosphodiesterase 3
CHEMBL2094125
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine