Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL562034

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@H](C(=O)NCCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL562034
Phase Preclinical
Structure Type MOL
InChI Key COWWJJYAVDPTMJ-KRWDZBQOSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
4.09
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23NO3
MW 373.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.36

Activity Summary

IC50 2 meas. best 4.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein GLI1
CHEMBL5461
 IC50 4.94 4.94 11400.0 1
Zinc finger protein GLI2
CHEMBL5119
 IC50 4.45 4.45 35200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zinc finger protein GLI1 IC50 = 11400.0 nM 4.94 Inhibition of exogenously transfected human Gli1-mediated transcriptional activi... 19545120
Zinc finger protein GLI2 IC50 = 35200.0 nM 4.45 Inhibition of exogenously transfected human Gli2 delta-N-mediated transcriptiona... 19545120

Literature References

PubMed DOI Target Context # Activities
19545120 10.1021/jm900106f C3H 10T1/2 11
19545120 10.1021/jm900106f Zinc finger protein GLI1 6
19545120 10.1021/jm900106f NON-PROTEIN TARGET 2
19545120 10.1021/jm900106f ADMET 2
19545120 10.1021/jm900106f BJ 1
19545120 10.1021/jm900106f HepG2 1
19545120 10.1021/jm900106f Raji 1
19545120 10.1021/jm900106f DU-145 1
19545120 10.1021/jm900106f Daoy 1
19545120 10.1021/jm900106f MDA-MB-231 1
19545120 10.1021/jm900106f Zinc finger protein GLI2 1

Data from ChEMBL 36 via Core Engine