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

CHEMBL1092205

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=c1[nH]c(/C=C/c2cccc(Br)c2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1092205
Phase Preclinical
Structure Type MOL
InChI Key NIKGZPRQFMVBJT-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

327.2
MW (Da)
3.86
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11BrN2O
MW 327.18
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.85

Literature References

PubMed DOI Target Context # Activities
20303768 10.1016/j.bmc.2010.02.025 SK-N-MC 1
20303768 10.1016/j.bmc.2010.02.025 HCT-116 1
20303768 10.1016/j.bmc.2010.02.025 ADMET 1
20303768 10.1016/j.bmc.2010.02.025 No relevant target 1

Data from ChEMBL 36 via Core Engine