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

CHEMBL5575876

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
CN(Cc1ccccc1)c1ccc(-c2cnc(N)nc2N)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5575876
Phase Preclinical
Structure Type MOL
InChI Key RSAVWZYTUCFLEE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.85
ALogP
7
HBA
2
HBD
124.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N6O2
MW 350.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
38071795 10.1016/j.ejmech.2023.115971 Dihydrofolate reductase 5
38071795 10.1016/j.ejmech.2023.115971 MCF7 2
38071795 10.1016/j.ejmech.2023.115971 MDA-MB-468 1
38071795 10.1016/j.ejmech.2023.115971 MDA-MB-231 1
38071795 10.1016/j.ejmech.2023.115971 No relevant target 1

Data from ChEMBL 36 via Core Engine