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Compound Detail

CHEMBL5896153

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COc1cccc(-c2nc(-n3ccc4cnccc43)c3c(Cl)ccn3n2)n1

Basic Information

ChEMBL ID CHEMBL5896153
Phase Preclinical
Structure Type MOL
InChI Key HIKXHHBRWDQIOA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.8
MW (Da)
3.79
ALogP
7
HBA
0
HBD
70.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13ClN6O
MW 376.81
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 10.0 nM 8.0 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine