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

CHEMBL1173148

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
CCCN(C(=O)C(C)c1cccc(C(=O)c2ccccc2)c1)c1ccc2cc[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1173148
Phase Preclinical
Structure Type MOL
InChI Key VTUGOOXWWOIQNC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
9
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
5.95
ALogP
2
HBA
1
HBD
53.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N2O2
MW 410.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.78

Activity Summary

IC50 2 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Zinc finger protein GLI1
CHEMBL5461
 IC50 5.58 5.58 2600.0 1
Zinc finger protein GLI2
CHEMBL5119
 IC50 4.54 4.54 29000.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.8 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Zinc finger protein GLI1 IC50 = 2600.0 nM 5.58 Inhibition of human Gli1 expressed in mouse C3H10T1/2 cells assessed as inhibiti... 20605720
Zinc finger protein GLI2 IC50 = 29000.0 nM 4.54 Inhibition of human Gli2 expressed in mouse C3H10T1/2 cells assessed as inhibiti... 20605720

Literature References

PubMed DOI Target Context # Activities
20605720 10.1016/j.bmc.2010.05.001 SJRH30 3
20605720 10.1016/j.bmc.2010.05.001 ADMET 3
20605720 10.1016/j.bmc.2010.05.001 Unchecked 2
20605720 10.1016/j.bmc.2010.05.001 Zinc finger protein GLI1 2
20605720 10.1016/j.bmc.2010.05.001 Zinc finger protein GLI2 1
20605720 10.1016/j.bmc.2010.05.001 Transcription factor Jun 1
20605720 10.1016/j.bmc.2010.05.001 NON-PROTEIN TARGET 1
20605720 10.1016/j.bmc.2010.05.001 BJ 1
20605720 10.1016/j.bmc.2010.05.001 C3H 10T1/2 1

Data from ChEMBL 36 via Core Engine