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

CHEMBL5985475

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
CCS(=O)(=O)N1CCC(Cc2c[nH]nc2-c2ccc3c(c2)CCC(=O)N3C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5985475
Phase Preclinical
Structure Type MOL
InChI Key ZMYTZUQUQDUAGQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

416.6
MW (Da)
2.59
ALogP
4
HBA
1
HBD
86.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N4O3S
MW 416.55
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.64

Activity Summary

EC50 2 meas. best 9.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 11B1, mitochondrial
CHEMBL1908
 EC50 9.67 9.67 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 11B1, mitochondrial EC50 = 0.216 nM 9.67 Inhibition Assay: The expression plasmids contains the ORF for either human/cyno... -

Data from ChEMBL 36 via Core Engine