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

CHEMBL25934

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
COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)C1c1ccc(C)cc1

Basic Information

ChEMBL ID CHEMBL25934
Phase Preclinical
Structure Type MOL
InChI Key JZPBLGSLWZLGAP-VKAVYKQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.42
ALogP
5
HBA
1
HBD
68.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO4
MW 315.37
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 7.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.18 7.18 66.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 66.07 nM 7.18 Compound was tested for its antagonist activity against calcium channel 2846838

Literature References

PubMed DOI Target Context # Activities
3746811 10.1021/jm00159a007 Cytochrome P450 3A4 2
10377225 10.1021/jm981114c Voltage-gated L-type calcium channel 1
10377225 10.1021/jm981114c ADMET 1
7057416 10.1021/jm00344a007 Cavia porcellus 1
7057416 10.1021/jm00344a007 Voltage-gated L-type calcium channel 1
2846838 10.1021/jm00119a009 Unchecked 1

Data from ChEMBL 36 via Core Engine