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Compound Detail

CHEMBL60566

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CCCN(C)C(=O)Oc1no[n+]([O-])c1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL60566
Phase Preclinical
Structure Type MOL
InChI Key RZOHLRUPUKLRPH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
1.82
ALogP
5
HBA
0
HBD
82.5
PSA (Ų)
0.80
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 C13H15N3O4
MW 277.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.88

Activity Summary

EC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MT4
CHEMBL388
EC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MT4 EC50 = 20000.0 nM 4.7 Tested for 50% effective concentration based on the inhibition of HIV-I induced ... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00355-1 MT4 2
- 10.1016/0960-894X(96)00355-1 Unchecked 1

Data from ChEMBL 36 via Core Engine