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

CHEMBL95361

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
CCCCCCn1cnc2c3cccnc3n(-c3ccccc3)c(=O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL95361
Phase Preclinical
Structure Type MOL
InChI Key OIGDTMLXJFHZGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.32
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N4O
MW 346.43
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
1495017 10.1021/jm00093a020 Rattus norvegicus 4
1495017 10.1021/jm00093a020 Mus musculus 1
1479586 10.1021/jm00104a013 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine