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

CHEMBL6022710

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
Nc1c(Cc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)nn1-c1nc(C(=O)O)co1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6022710
Phase Preclinical
Structure Type MOL
InChI Key FDVJXPZGGYXVFC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
2.05
ALogP
8
HBA
3
HBD
167.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N5O5S
MW 439.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.00

Activity Summary

IC50 2 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.26 6.26 550.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 550.0 nM 6.26 Biochemical Assay: Test compounds were placed in a Greiner Bio-One (Monroe, N.C.... -
Unchecked IC50 = 550.0 nM 6.26 Biochemical Assay: Test compounds were placed in a Greiner Bio-One (Monroe, N.C.... -

Data from ChEMBL 36 via Core Engine