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Compound Detail

CHEMBL151715

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Cc1cn([C@@H]2CO[C@H](CO)O2)c(=O)nc1N

Basic Information

ChEMBL ID CHEMBL151715
Phase Preclinical
Structure Type MOL
InChI Key MJGOECXTQVPSJN-BQBZGAKWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

227.2
MW (Da)
-1.00
ALogP
7
HBA
2
HBD
99.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H13N3O4
MW 227.22
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.61

Activity Summary

EC50 1 meas. best 4.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 4.34 4.34 45900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8496934 10.1021/jm00057a001 Human immunodeficiency virus 1 1
8496934 10.1021/jm00057a001 ADMET 1
8496934 10.1021/jm00057a001 Vero 1

Data from ChEMBL 36 via Core Engine