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Compound Detail

CHEMBL4069838

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CNC(=O)c1ccc(COc2ccc(C#Cc3ccc(C(F)(F)C(O)(Cn4cnnn4)c4ccc(F)cc4F)nc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4069838
Phase Preclinical
Structure Type MOL
InChI Key LLWANKSWBQUOSR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

616.6
MW (Da)
4.36
ALogP
8
HBA
2
HBD
115.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H24F4N6O3
MW 616.58
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -1.43

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28651982 10.1016/j.bmcl.2017.06.037 Lanosterol 14-alpha demethylase 2
28651982 10.1016/j.bmcl.2017.06.037 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine