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

CHEMBL135972

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=c1[nH]c(=O)n2c3c1ncn3CC=CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL135972
Phase Preclinical
Structure Type MOL
InChI Key XRMRTBAVAQPJKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
-0.54
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N4O2
MW 204.19
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
1992143 10.1021/jm00105a064 L1210 1

Data from ChEMBL 36 via Core Engine