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Compound Detail

CHEMBL519814

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Nc1nc(NC(Cc2ccccc2)C(=O)O)c2ncn(CCOCP(=O)(O)O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519814
Phase Preclinical
Structure Type MOL
InChI Key CBLGZXFCZMHUJO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
0.67
ALogP
9
HBA
5
HBD
185.7
PSA (Ų)
0.22
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 C17H21N6O6P
MW 436.37
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.60

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