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Compound Detail

CHEMBL3703991

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Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N)cc5c4)n3c2)cn1

Basic Information

ChEMBL ID CHEMBL3703991
Phase Preclinical
Structure Type MOL
InChI Key LZEHTZQDEITMSS-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.41
ALogP
8
HBA
1
HBD
86.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N7S
MW 373.45
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -2.29

Activity Summary

IC50 2 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.89 7.89 13.0 1
Phosphodiesterase 3
CHEMBL2094125
IC50 4.77 4.77 17000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine