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

CHEMBL4872645

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
COC(=O)N(C)/N=N/c1ccc(CO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872645
Phase Preclinical
Structure Type MOL
InChI Key XEIRWIOYOUELMY-VAWYXSNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

223.2
MW (Da)
1.88
ALogP
5
HBA
1
HBD
74.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13N3O3
MW 223.23
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
34507011 10.1016/j.ejmech.2021.113811 DNA 2
34507011 10.1016/j.ejmech.2021.113811 A 172 1
34507011 10.1016/j.ejmech.2021.113811 WM 266-4 1
34507011 10.1016/j.ejmech.2021.113811 NCI-H1299 1
34507011 10.1016/j.ejmech.2021.113811 MDA-MB-238 1

Data from ChEMBL 36 via Core Engine