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Compound Detail

CHEMBL485517

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Nc1nc(N(CC(=O)O)CC(=O)O)c2ncn(CCOCP(=O)(O)O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485517
Phase Preclinical
Structure Type MOL
InChI Key CWMKLICWGIFSOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.3
MW (Da)
-1.46
ALogP
10
HBA
5
HBD
214.2
PSA (Ų)
0.23
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N6O8P
MW 404.28
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
17893157 10.1128/aac.00838-07 ADMET 4
17893157 10.1128/aac.00838-07 Unchecked 4
17893157 10.1128/aac.00838-07 Camelpox virus 4

Data from ChEMBL 36 via Core Engine