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Compound Detail

CHEMBL156260

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O=c1ccn(C2C[C@@H](I)[C@@H](CO)O2)c(=O)[nH]1

Basic Information

ChEMBL ID CHEMBL156260
Phase Preclinical
Structure Type MOL
InChI Key HPCFWQGGUBDFHS-LPBDRPKESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.1
MW (Da)
-0.38
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.57
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 C9H11IN2O4
MW 338.10
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.87

Activity Summary

EC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 4.92 4.92 12100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2918508 10.1021/jm00123a018 Human immunodeficiency virus 1 1
2918508 10.1021/jm00123a018 ADMET 1

Data from ChEMBL 36 via Core Engine