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Compound Detail

CHEMBL444911

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O=C(O)c1ccc(-c2noc(CBr)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL444911
Phase Preclinical
Structure Type MOL
InChI Key VEDJRICOOJWALB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

283.1
MW (Da)
2.33
ALogP
4
HBA
1
HBD
76.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7BrN2O3
MW 283.08
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.55

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19053778 10.1021/jm800869t Unchecked 2
19053778 10.1021/jm800869t Human immunodeficiency virus 1 1
19053778 10.1021/jm800869t MT2 1

Data from ChEMBL 36 via Core Engine