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Compound Detail

CHEMBL3311255

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O=C(Nc1ccc(Br)cc1)c1cc(Cl)ccc1OC(=O)N(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3311255
Phase Preclinical
Structure Type MOL
InChI Key ROZXFDXXWDGTFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

521.8
MW (Da)
7.69
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H18BrClN2O3
MW 521.80
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.32

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 Mycobacterium tuberculosis 2
24953953 10.1016/j.bmc.2014.05.064 Mycobacterium avium 2
24953953 10.1016/j.bmc.2014.05.064 Unchecked 1
24953953 10.1016/j.bmc.2014.05.064 HepG2 1

Data from ChEMBL 36 via Core Engine