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

CHEMBL4596967

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
Cc1nc(Nc2ncc(-c3ccncc3)s2)cc(N2CCN(CCF)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596967
Phase Preclinical
Structure Type MOL
InChI Key MDJCWIIMQFQPIA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
3.14
ALogP
8
HBA
1
HBD
70.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22FN7S
MW 399.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.09

Data from ChEMBL 36 via Core Engine