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

CHEMBL4872937

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
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2cc[nH]n2)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872937
Phase Preclinical
Structure Type MOL
InChI Key AMJFOFDVKJIROC-IDTAVKCVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
-1.46
ALogP
10
HBA
5
HBD
160.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N8O3
MW 346.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
34257831 10.1021/acsmedchemlett.1c00140 Unchecked 3
34257831 10.1021/acsmedchemlett.1c00140 ADMET 2
34257831 10.1021/acsmedchemlett.1c00140 Glycine N-methyltransferase 1
34257831 10.1021/acsmedchemlett.1c00140 HepG2 1
34257831 10.1021/acsmedchemlett.1c00140 A549 1

Data from ChEMBL 36 via Core Engine