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Compound Detail

CHEMBL2046842

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O=C(NN1Cc2ccccc2C1)c1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2046842
Phase Preclinical
Structure Type MOL
InChI Key ZHUDEDRRMCCNFX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.49
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13FN2O
MW 256.28
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.47

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
17542610 10.1021/jf0704211 Botrytis cinerea 3
22738640 10.1016/j.bmcl.2012.06.004 Unchecked 1
22738640 10.1016/j.bmcl.2012.06.004 L6 1
22738640 10.1016/j.bmcl.2012.06.004 Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine