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

CHEMBL25087

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
COc1cc(NC(=O)C(=O)N(C)C(C)(C)C)ccc1-c1cnco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL25087
Phase Preclinical
Structure Type MOL
InChI Key XAQGNYHTBSUITM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
2.55
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.87
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 C17H21N3O4
MW 331.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
11965381 10.1016/s0960-894x(02)00132-4 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine