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Compound Detail

CHEMBL3358817

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CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccc(C(C)(C)C)cc3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358817
Phase Preclinical
Structure Type MOL
InChI Key XPNZEICJYVUDFL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
5.38
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.63
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N2O2
MW 376.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.01

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NRK-49F
CHEMBL614203
 IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NRK-49F IC50 = 2000.0 nM 5.7 Inhibition of TGF-beta1-induced total collagen accumulation in rat NRK-49F cells 25467157

Literature References

PubMed DOI Target Context # Activities
25467157 10.1016/j.bmcl.2014.10.071 Mus musculus 9
25467157 10.1016/j.bmcl.2014.10.071 NRK-49F 3
25467157 10.1016/j.bmcl.2014.10.071 RAW264.7 1

Data from ChEMBL 36 via Core Engine