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Compound Detail

CHEMBL3703979

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COC1CCN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CC1

Basic Information

ChEMBL ID CHEMBL3703979
Phase Preclinical
Structure Type MOL
InChI Key UJHKEEXPTFPJNG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
4.44
ALogP
9
HBA
0
HBD
73.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N7OS
MW 471.59
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -2.08

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 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine