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

CHEMBL1241353

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=[N+]([O-])c1cnc(Cl)nc1NC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1241353
Phase Preclinical
Structure Type MOL
InChI Key WCBURNWVRFRXTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

242.7
MW (Da)
2.39
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11ClN4O2
MW 242.67
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
17028580 10.1038/nchembio826 BSC-1 1
29576270 10.1016/j.bmc.2018.03.024 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 1

Data from ChEMBL 36 via Core Engine