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Compound Detail

CHEMBL5279930

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O=c1[nH]cc(-c2cccc(CO)c2)cc1-c1nc2cc(N3CCNCC3)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5279930
Phase Preclinical
Structure Type MOL
InChI Key WCUYLEVIRQOTLK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
2.49
ALogP
5
HBA
4
HBD
97.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N5O2
MW 401.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transforming growth factor beta-2 proprotein
CHEMBL3217393
 IC50 6.01 6.01 970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transforming growth factor beta-2 proprotein IC50 = 970.0 nM 6.01 Inhibition of TGF-beta (unknown origin) 30125720

Literature References

PubMed DOI Target Context # Activities
30125720 10.1016/j.ejmech.2018.08.028 Transforming growth factor beta-2 proprotein 1

Data from ChEMBL 36 via Core Engine