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Compound Detail

CHEMBL3703989

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Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(NCCO)cc5c4)n3c2)cn1

Basic Information

ChEMBL ID CHEMBL3703989
Phase Preclinical
Structure Type MOL
InChI Key UZQJPEHKKNXHBM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
3.37
ALogP
9
HBA
2
HBD
93.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FN7OS
MW 435.49
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -2.25

Activity Summary

IC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.1 8.1 8.0 1
Phosphodiesterase 3
CHEMBL2094125
IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine