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

CHEMBL41459

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
CCOP(=O)(O)CCC(NC(=O)c1ccc(NCC2CNc3nc(N)nc(O)c3C2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41459
Phase Preclinical
Structure Type MOL
InChI Key GPUSXKHIVFTONZ-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

508.5
MW (Da)
1.26
ALogP
10
HBA
7
HBD
209.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29N6O7P
MW 508.47
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.01

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
1578484 10.1021/jm00087a012 Folylpolyglutamate synthase, mitochondrial 1
1578484 10.1021/jm00087a012 Dihydrofolate reductase 1
1578484 10.1021/jm00087a012 Thymidylate synthase 1

Data from ChEMBL 36 via Core Engine