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Compound Detail

CHEMBL6021526

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COc1ccc2nccc(Nc3nc(-c4cccc(C)n4)nn4cccc34)c2c1

Basic Information

ChEMBL ID CHEMBL6021526
Phase Preclinical
Structure Type MOL
InChI Key ZHGQPMJOQONKJQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
4.40
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N6O
MW 382.43
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 8.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 8.19 8.19 6.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 6.4 nM 8.19 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine