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

CHEMBL170204

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
C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1cccc(I)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170204
Phase Preclinical
Structure Type MOL
InChI Key MWUUVUSREOTGNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

429.3
MW (Da)
3.89
ALogP
4
HBA
1
HBD
49.2
PSA (Ų)
0.51
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 C19H16IN3O
MW 429.26
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
8632414 10.1021/jm9502652 Thymidylate synthase 4
8632414 10.1021/jm9502652 CCRF-CEM 2
8632414 10.1021/jm9502652 GC3/MTK- 2
8632414 10.1021/jm9502652 L1210 1

Data from ChEMBL 36 via Core Engine