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Compound Detail

CHEMBL471431

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C[C@@]1(OCP(=O)(O)O)C=C[C@H](n2cnc3c(N)ncnc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471431
Phase Preclinical
Structure Type MOL
InChI Key WXKOPEQNRLPQSM-QPUJVOFHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
0.82
ALogP
7
HBA
3
HBD
136.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N5O4P
MW 325.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.80

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19179082 10.1016/j.bmc.2008.12.028 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine