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Compound Detail

CHEMBL603718

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Nc1nncc2c1ccn2C1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL603718
Phase Preclinical
Structure Type MOL
InChI Key XSOKEAGOQSCHOO-YIPHXTPMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
-1.38
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.53
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 C11H14N4O4
MW 266.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80242-5 Human betaherpesvirus 5 2
8254613 10.1021/jm00076a011 Human betaherpesvirus 5 1
8254613 10.1021/jm00076a011 Human alphaherpesvirus 1 1
8254613 10.1021/jm00076a011 HFF 1
8254613 10.1021/jm00076a011 L1210 1
8254613 10.1021/jm00076a011 Homo sapiens 1
1310744 10.1021/jm00081a014 L1210 1
1310744 10.1021/jm00081a014 Homo sapiens 1
1310744 10.1021/jm00081a014 Human betaherpesvirus 5 1
1310744 10.1021/jm00081a014 Human alphaherpesvirus 1 1
1310744 10.1021/jm00081a014 ADMET 1

Data from ChEMBL 36 via Core Engine