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

CHEMBL3769438

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
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CCC[C@@H](C4)N5C)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3769438
Phase Preclinical
Structure Type MOL
InChI Key HMFFGZFQFGCVJF-UDVNABDESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
0.01
ALogP
10
HBA
4
HBD
137.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31N7O4
MW 445.52
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
26756468 10.1021/acs.jmedchem.5b01402 Adenosine receptor A1 2
26756468 10.1021/acs.jmedchem.5b01402 Adenosine receptor A2a 2
26756468 10.1021/acs.jmedchem.5b01402 Adenosine receptor A2b 2

Data from ChEMBL 36 via Core Engine