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Compound Detail

CHEMBL3704009

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C/C(=N\OCCO)c1ccc2nnc(Sc3ccc4ncc(N5CCOCC5)cc4c3)n2c1

Basic Information

ChEMBL ID CHEMBL3704009
Phase Preclinical
Structure Type MOL
InChI Key STWYWDMBNVHQIZ-JVWAILMASA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
3.00
ALogP
10
HBA
1
HBD
97.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N6O3S
MW 464.55
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.95

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 4.55 4.55 28000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine