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Compound Detail

CHEMBL5926913

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C=C(C)c1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccncc1C(=O)N[C@H](CO)C(C)C

Basic Information

ChEMBL ID CHEMBL5926913
Phase Preclinical
Structure Type MOL
InChI Key YMWZEQODUUFJAJ-XMMPIXPASA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

469.0
MW (Da)
5.46
ALogP
5
HBA
3
HBD
87.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26ClFN4O2
MW 468.96
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.74

Activity Summary

IC50 6 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 6.0 6.0 988.0 3
Activin receptor type-1B
CHEMBL5310
IC50 5.3 5.3 5020.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine