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Compound Detail

CHEMBL4100049

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OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(C#Cc2cccc(F)c2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4100049
Phase Preclinical
Structure Type MOL
InChI Key OSKJLJVGLZVQHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

471.4
MW (Da)
3.57
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H14F5N5O
MW 471.39
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.58

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