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Compound Detail

CHEMBL4086421

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N#Cc1ccc(OCc2ccc(C#Cc3ccc(C(F)(F)C(O)(Cn4cnnn4)c4ccc(F)cc4F)nc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4086421
Phase Preclinical
Structure Type MOL
InChI Key LNCHEVPRNGQIQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

584.5
MW (Da)
4.88
ALogP
8
HBA
1
HBD
109.7
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H20F4N6O2
MW 584.53
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.47

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