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

CHEMBL268272

3-DEAZAARISTEROMYCIN A
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
Nc1nccc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL268272
Name 3-DEAZAARISTEROMYCIN A
Phase Preclinical
Structure Type MOL
InChI Key XNJHAZWZQGXOSC-IALJFVCMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
-0.71
ALogP
7
HBA
4
HBD
117.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N4O3
MW 264.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 1.10

Activity Summary

Ki 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenosylhomocysteinase
CHEMBL2664
 Ki 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenosylhomocysteinase Ki = 4.0 nM 8.4 Binding affinity against S-adenosyl-homocysteine hydrolase 3981539

Literature References

PubMed DOI Target Context # Activities
7097716 10.1021/jm00348a004 Rattus norvegicus 18
2552118 10.1021/jm00130a024 Vaccinia virus 11
1324318 10.1021/jm00095a019 ADMET 10
2544721 10.1021/jm00127a007 Vesicular stomatitis virus 8
7097716 10.1021/jm00348a004 Mus musculus 6
8176716 10.1021/jm00035a020 Vero 6
3950905 10.1021/jm00152a007 Vero 6
1324318 10.1021/jm00095a019 Vero 6
8176716 10.1021/jm00035a020 E6SM 6
3585910 10.1021/jm00389a005 Vero 5
3950905 10.1021/jm00152a007 ADMET 5
2754698 10.1021/jm00128a011 HeLa 4
1324318 10.1021/jm00095a019 HeLa 4
2540332 10.1021/jm00125a024 HeLa 4
3585910 10.1021/jm00389a005 HeLa 4
8176716 10.1021/jm00035a020 HEL 4
3950905 10.1021/jm00152a007 HeLa 4
3585910 10.1021/jm00389a005 Oryctolagus cuniculus 4
2544721 10.1021/jm00127a007 NON-PROTEIN TARGET 4
3411597 10.1021/jm00117a004 Vesicular stomatitis virus 4

Data from ChEMBL 36 via Core Engine