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

CHEMBL149638

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
COc1cc2nc(-c3ccc(C(=O)O)cc3)cc(O)c2cc1-c1cnco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149638
Phase Preclinical
Structure Type MOL
InChI Key REFCCVKTWAIDKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.3
MW (Da)
3.97
ALogP
6
HBA
2
HBD
105.7
PSA (Ų)
0.57
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 C20H14N2O5
MW 362.34
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
12565968 10.1016/s0960-894x(02)00944-7 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine