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

CHEMBL5722995

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
Nc1nc(Nc2ccc(Oc3cccc4[nH]ccc34)c(F)c2)cc(-c2ccncc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5722995
Phase Preclinical
Structure Type MOL
InChI Key PWIDKMWDPVOCOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
5.28
ALogP
6
HBA
3
HBD
101.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17FN6O
MW 412.43
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
18973168 10.1002/cmdc.200800211 Rho-associated protein kinase 2 1
18973168 10.1002/cmdc.200800211 Saphenous artery 1

Data from ChEMBL 36 via Core Engine