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Compound Detail

CHEMBL5982418

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OC1CCN(Cc2ccn3nc(-c4ccccn4)nc(Nc4ccncc4F)c23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5982418
Phase Preclinical
Structure Type MOL
InChI Key CLUGMNXHPULCBE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
3.03
ALogP
8
HBA
2
HBD
91.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22FN7O
MW 419.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 9.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
 IC50 9.24 9.24 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 0.58 nM 9.24 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine