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

CHEMBL2326737

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
CN(C)CCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2326737
Phase Preclinical
Structure Type MOL
InChI Key LICSIDCWTMJBAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

398.2
MW (Da)
4.09
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.56
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 C17H17Cl2N3O4
MW 398.25
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -2.03

Literature References

PubMed DOI Target Context # Activities
30954430 10.1016/j.bmcl.2019.03.032 Enterobacter cloacae 7
30954430 10.1016/j.bmcl.2019.03.032 Klebsiella pneumoniae 6
30954430 10.1016/j.bmcl.2019.03.032 Klebsiella aerogenes 2
23459613 10.1021/ml3003082 PANC-1 1
23459613 10.1021/ml3003082 ASPC1 1
23459613 10.1021/ml3003082 MDA-MB-231 1
23459613 10.1021/ml3003082 MCF7 1
30954430 10.1016/j.bmcl.2019.03.032 Escherichia coli 1

Data from ChEMBL 36 via Core Engine