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Compound Detail

CHEMBL224851

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BP(=O)(OC[C@@H]1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-])OP(=O)(O)OP(=O)(O)O

Basic Information

ChEMBL ID CHEMBL224851
Phase Preclinical
Structure Type MOL
InChI Key JKCDENMGDSYJEP-YMWPKTBISA-N
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names

Molecular Properties

503.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H17BN5O12P3
MW 503.00

Activity Summary

Ki 1 meas. best 8.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 8.02 8.02 9.6 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 6.0 hr Bos taurus
T1/2 6.0 hr Bos taurus
t1/2 - - Homo sapiens
t1/2 - - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 9.6 nM 8.02 Inhibition of HIV1 reverse transcriptase 15615539

Literature References

PubMed DOI Target Context # Activities
15615539 10.1021/jm040116w Unchecked 2
15615539 10.1021/jm040116w Serum 2
15615539 10.1021/jm040116w CCRF-CEM 2

Data from ChEMBL 36 via Core Engine