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

CHEMBL4596050

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
O=C(O)[C@H]1C2C=CC(CC2)[C@@H]1c1nnc2c(F)cnc(-c3c[nH]c4ncc(F)cc34)n12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596050
Phase Preclinical
Structure Type MOL
InChI Key ZUHVQDQUVWTSRA-SBBZOCNPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
3.33
ALogP
6
HBA
2
HBD
109.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16F2N6O2
MW 422.40
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine