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Compound Detail

CHEMBL5774807

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CCOC(=O)c1cnc2ccc(/C=C\c3cccc(OC)n3)cn12

Basic Information

ChEMBL ID CHEMBL5774807
Phase Preclinical
Structure Type MOL
InChI Key BZTHMURAKJWYEX-CLFYSBASSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.09
ALogP
6
HBA
0
HBD
65.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O3
MW 323.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 7.25 7.25 56.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 56.0 nM 7.25 Enzyme Activity Inhibition: 1. Preparation of a 1× kinase buffer: 40 mM Tris (pH... -

Data from ChEMBL 36 via Core Engine