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Compound Detail

CHEMBL3704005

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CN1CCN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CC1

Basic Information

ChEMBL ID CHEMBL3704005
Phase Preclinical
Structure Type MOL
InChI Key GUQCOZKYQUTLJM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
3.58
ALogP
9
HBA
0
HBD
67.4
PSA (Ų)
0.41
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 C24H24N8S
MW 456.58
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -2.27

Activity Summary

IC50 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.4 8.4 4.0 1
Phosphodiesterase 3
CHEMBL2094125
IC50 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine