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

CHEMBL207795

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(NC(=O)c1ccccc1)Nc1ccc([S+]([O-])c2ncc(Br)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL207795
Phase Preclinical
Structure Type MOL
InChI Key GUALLGCDXJOMHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

445.3
MW (Da)
3.37
ALogP
5
HBA
2
HBD
107.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13BrN4O3S
MW 445.30
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
16570932 10.1021/jm051261s MCF7 3
16570932 10.1021/jm051261s Tubulin 2
16570932 10.1021/jm051261s ASPC1 1
16570932 10.1021/jm051261s PANC-1 1
16570932 10.1021/jm051261s Panc203 1
16570932 10.1021/jm051261s Panc430 1
16570932 10.1021/jm051261s Panc1005 1
16570932 10.1021/jm051261s MIA PaCa-2 1
16570932 10.1021/jm051261s Hs 766 1
16570932 10.1021/jm051261s CWR22R 1
16570932 10.1021/jm051261s LNCaP 1
16570932 10.1021/jm051261s LAPC4 1

Data from ChEMBL 36 via Core Engine