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Compound Detail

CHEMBL3311266

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CN(C(=O)Oc1ccccc1C(=O)Nc1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3311266
Phase Preclinical
Structure Type MOL
InChI Key NDNODXLYQNSBHJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.57
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.75
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 C21H18N2O3
MW 346.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24953953 10.1016/j.bmc.2014.05.064 Mycobacterium kansasii 6
24953953 10.1016/j.bmc.2014.05.064 Unchecked 3
24953953 10.1016/j.bmc.2014.05.064 Mycobacterium tuberculosis 2
24953953 10.1016/j.bmc.2014.05.064 Mycobacterium avium 2
24953953 10.1016/j.bmc.2014.05.064 HepG2 1

Data from ChEMBL 36 via Core Engine