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

CHEMBL114482

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
CC1(C)Oc2ccc(C#N)cc2[C@H](N(Cc2ncc[nH]2)c2ccc(F)cc2)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114482
Phase Preclinical
Structure Type MOL
InChI Key ZVPVQEBOUHEBIU-LEWJYISDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
3.70
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.71
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 C22H21FN4O2
MW 392.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
9016325 10.1021/jm9605905 Rattus norvegicus 3

Data from ChEMBL 36 via Core Engine