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

CHEMBL174915

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
Cc1cn(C2C=CC(COC(=O)CNNC(=O)c3ccncc3)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL174915
Phase Preclinical
Structure Type MOL
InChI Key CSAAOMBCPFCSFJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
20
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
-0.83
ALogP
9
HBA
3
HBD
144.4
PSA (Ų)
0.31
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 C18H19N5O6
MW 401.38
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.22

Activity Summary

EC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
 EC50 6.4 6.4 402.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.0 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCRF-CEM EC50 = 402.0 nM 6.4 Effective concentration of compound achieving 50% protection in CEM cell lines a... 14980640

Literature References

PubMed DOI Target Context # Activities
14980640 10.1016/j.bmcl.2004.01.007 Klebsiella pneumoniae 2
14980640 10.1016/j.bmcl.2004.01.007 Vibrio cholerae 2
14980640 10.1016/j.bmcl.2004.01.007 CCRF-CEM 2
14980640 10.1016/j.bmcl.2004.01.007 Pseudomonas aeruginosa 1
14980640 10.1016/j.bmcl.2004.01.007 Priestia megaterium 1
14980640 10.1016/j.bmcl.2004.01.007 Salmonella typhimurium 1
14980640 10.1016/j.bmcl.2004.01.007 Proteus mirabilis 1
14980640 10.1016/j.bmcl.2004.01.007 Proteus vulgaris 1
14980640 10.1016/j.bmcl.2004.01.007 Edwardsiella tarda 1
14980640 10.1016/j.bmcl.2004.01.007 Escherichia coli 1
14980640 10.1016/j.bmcl.2004.01.007 Vibrio parahaemolyticus 1
14980640 10.1016/j.bmcl.2004.01.007 Vibrio fluvialis 1
14980640 10.1016/j.bmcl.2004.01.007 Vibrio mimicus 1
14980640 10.1016/j.bmcl.2004.01.007 Staphylococcus aureus 1
14980640 10.1016/j.bmcl.2004.01.007 Morganella morganii 1
14980640 10.1016/j.bmcl.2004.01.007 Plesiomonas shigelloides 1
14980640 10.1016/j.bmcl.2004.01.007 Shigella boydii 1
14980640 10.1016/j.bmcl.2004.01.007 Shigella sonnei 1
14980640 10.1016/j.bmcl.2004.01.007 ADMET 1
14980640 10.1016/j.bmcl.2004.01.007 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine