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

CHEMBL439582

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
C[C@]12CCC(Oc3c(F)c(F)c(C(F)(F)F)c(F)c3F)=CC1=CCC1C2CC[C@]2(C)C(c3cccnc3)=CCC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL439582
Phase Preclinical
Structure Type MOL
InChI Key PGWGMGMOYSIIIL-KAWYOIJUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

563.6
MW (Da)
9.19
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.27
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28F7NO
MW 563.56
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 0.93

Literature References

PubMed DOI Target Context # Activities
7608911 10.1021/jm00013a022 Steroid 17-alpha-hydroxylase/17,20 lyase 2

Data from ChEMBL 36 via Core Engine