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Compound Detail

CHEMBL5928955

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Fc1cnccc1Nc1nc(-c2ccccn2)nn2ccc(CN[C@H]3CCN(Cc4ccccc4)C3)c12

Basic Information

ChEMBL ID CHEMBL5928955
Phase Preclinical
Structure Type MOL
InChI Key HJZCMIKTRDMVQA-QFIPXVFZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.6
MW (Da)
4.43
ALogP
8
HBA
2
HBD
83.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27FN8
MW 494.58
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.77

Activity Summary

IC50 2 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 8.92 8.92 1.2 1
TGF-beta receptor type-2
CHEMBL4267
IC50 6.0 6.0 990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine