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Compound Detail

CHEMBL229987

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Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](OCP(=O)(O)O)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229987
Phase Preclinical
Structure Type MOL
InChI Key RQIWJEWLHGMRRX-OOZYFLPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.2
MW (Da)
-0.08
ALogP
7
HBA
3
HBD
179.6
PSA (Ų)
0.29
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 C10H14N5O7P
MW 347.22
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
17562366 10.1016/j.bmc.2007.05.047 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine