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Compound Detail

CHEMBL34163

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NC(=O)c1cn(COCCO)c2ncnc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34163
Phase Preclinical
Structure Type MOL
InChI Key WCWRSWSZBBLCDH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

251.2
MW (Da)
-0.92
ALogP
7
HBA
3
HBD
129.3
PSA (Ų)
0.59
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 C10H13N5O3
MW 251.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
2500527 10.1021/jm00127a003 ADMET 2
- 10.1016/S0960-894X(00)80470-9 HFF 2
2165163 10.1021/jm00170a019 Human immunodeficiency virus 1
2500527 10.1021/jm00127a003 Human betaherpesvirus 5 1
2500527 10.1021/jm00127a003 Human alphaherpesvirus 1 1
2500527 10.1021/jm00127a003 Homo sapiens 1
2500527 10.1021/jm00127a003 L1210 1

Data from ChEMBL 36 via Core Engine