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Compound Detail

CHEMBL3358819

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CC(C)(C)c1ccc2[nH]cc(C(=O)Nc3ccc(C(C)(C)C)c(N)c3)c(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3358819
Phase Preclinical
Structure Type MOL
InChI Key XJRWRGBRLLLAOF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
4.96
ALogP
3
HBA
3
HBD
88.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N3O2
MW 391.52
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NRK-49F
CHEMBL614203
 IC50 5.39 5.39 4100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NRK-49F IC50 = 4100.0 nM 5.39 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 NRK-49F 3
25467157 10.1016/j.bmcl.2014.10.071 RAW264.7 1

Data from ChEMBL 36 via Core Engine