Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4064340

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(C#Cc2ccc(OCc3ccc(CC(F)F)cc3)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4064340
Phase Preclinical
Structure Type MOL
InChI Key WZYWBDICRHDRIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

623.6
MW (Da)
5.81
ALogP
7
HBA
1
HBD
86.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H23F6N5O2
MW 623.56
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
28651982 10.1016/j.bmcl.2017.06.037 Lanosterol 14-alpha demethylase 4
28651982 10.1016/j.bmcl.2017.06.037 Cytochrome P450 3A4 2

Data from ChEMBL 36 via Core Engine