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

CHEMBL3895185

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=CC(=O)Nc1cccc(-n2cnc3cnc(Nc4ccc(N5CCN(CC)CC5)cc4OC)nc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3895185
Phase Preclinical
Structure Type MOL
InChI Key GVFZOGXWEPKQPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
3.83
ALogP
9
HBA
2
HBD
100.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N8O2
MW 498.59
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
27994736 10.1021/acsmedchemlett.6b00235 NON-PROTEIN TARGET 2
27994736 10.1021/acsmedchemlett.6b00235 Tyrosine-protein kinase JAK3 1
27994736 10.1021/acsmedchemlett.6b00235 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine