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

CHEMBL4084895

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=c1[nH]c2ncccc2n1-c1nc(N2CCCC(C(O)C3CC3)C2)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4084895
Phase Preclinical
Structure Type MOL
InChI Key NPNHGCUWUHBIIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
2.24
ALogP
6
HBA
2
HBD
87.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22FN5O2
MW 383.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
28400232 10.1016/j.bmcl.2017.03.099 Protein kinase C theta type 1

Data from ChEMBL 36 via Core Engine