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Compound Detail

CHEMBL5847185

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Fc1cnccc1Nc1nc(-c2nc(C(F)(F)F)cs2)nn2cccc12

Basic Information

ChEMBL ID CHEMBL5847185
Phase Preclinical
Structure Type MOL
InChI Key AWBDMVXDPKNREO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.3
MW (Da)
4.15
ALogP
7
HBA
1
HBD
68.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8F4N6S
MW 380.33
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.13

Activity Summary

IC50 1 meas. best 9.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
TGF-beta receptor type-1
CHEMBL4439
IC50 9.14 9.14 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
TGF-beta receptor type-1 IC50 = 0.72 nM 9.14 Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... -

Data from ChEMBL 36 via Core Engine