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

CHEMBL2158594

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
O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1

Basic Information

ChEMBL ID CHEMBL2158594
Phase Preclinical
Structure Type MOL
InChI Key UNRLIUTYXUNBNM-GOSISDBHSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

580.0
MW (Da)
6.65
ALogP
5
HBA
4
HBD
144.4
PSA (Ų)
0.10
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H22ClN5O5
MW 580.00
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness -0.87

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22148292 10.1021/jm201284m COLO 205 1
22148292 10.1021/jm201284m Ramos 1
22148292 10.1021/jm201284m HL-60 1
22148292 10.1021/jm201284m NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine