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Compound Detail

CHEMBL1162283

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C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)OP(=O)(O)O

Basic Information

ChEMBL ID CHEMBL1162283
Phase Preclinical
Structure Type MOL
InChI Key BQDRSOMUPPCKPB-ZCFIWIBFSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

367.2
MW (Da)
0.07
ALogP
9
HBA
4
HBD
182.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H15N5O7P2
MW 367.20
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.05

Activity Summary

Ki 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
Ki 6.96 6.82 110.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17517852 10.1128/aac.00314-07 Human immunodeficiency virus type 1 reverse transcriptase 4
17517852 10.1128/aac.00314-07 Unchecked 2
38086193 10.1016/j.ejmech.2023.116020 Unchecked 2
38086193 10.1016/j.ejmech.2023.116020 DNA polymerase subunit gamma-1 1

Data from ChEMBL 36 via Core Engine