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Compound Detail

CHEMBL292278

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O=c1ccn([C@H]2CO[C@@H](CO)O2)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL292278
Phase Preclinical
Structure Type MOL
InChI Key MYQDAUKUBLHXLX-RNFRBKRXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
-1.60
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.62
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 C8H10N2O5
MW 214.18
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.73

Activity Summary

EC50 1 meas. best 4.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
EC50 4.24 4.24 57500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET EC50 = 57500.0 nM 4.24 Tested in vitro for the antiviral assay in mitogen stimulated human peripheral b... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80870-2 ADMET 2
1597854 10.1021/jm00089a007 ADMET 2
- 10.1016/S0960-894X(01)80870-2 Vero 1
- 10.1016/S0960-894X(01)80870-2 MT4 1
- 10.1016/S0960-894X(01)80870-2 CCRF-CEM 1
1597854 10.1021/jm00089a007 Vero 1
10377226 10.1021/jm9806749 Human gammaherpesvirus 4 1
- 10.1016/0960-894X(95)00343-R Hepatoma cell line 1

Data from ChEMBL 36 via Core Engine