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Compound Detail

CHEMBL2205089

FISCHAMBIGUINE B
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C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)c3cccc4[nH]c5c(c34)[C@@]2(O)[C@]1(C#N)[C@@]1(CO1)C5(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2205089
Name FISCHAMBIGUINE B
Phase Preclinical
Structure Type MOL
InChI Key UVQAGMWUCQFMIG-WUODHARFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

437.0
MW (Da)
5.04
ALogP
3
HBA
2
HBD
72.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29ClN2O2
MW 436.98
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.81

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22280816 10.1016/j.ejmech.2011.12.029 Unchecked 1
22280816 10.1016/j.ejmech.2011.12.029 Vero 1
22280816 10.1016/j.ejmech.2011.12.029 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine