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

CHEMBL4748764

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=C(CN1CCC(O)CC1)N1CC(CNc2ccc(F)cc2)C2(C1)CN(c1ccc(F)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4748764
Phase Preclinical
Structure Type MOL
InChI Key OWCDDDCLYXGDMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
3
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
2.80
ALogP
5
HBA
2
HBD
59.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32F2N4O2
MW 470.56
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.01

Pharmacokinetic Data

Parameter Value Units Species
T1/2 2.5 hr Homo sapiens
T1/2 2.5 hr Rattus norvegicus
T1/2 2.5 hr Mus musculus

Literature References

PubMed DOI Target Context # Activities
33573376 10.1021/acs.jmedchem.1c00034 ADMET 6
33573376 10.1021/acs.jmedchem.1c00034 Plasmodium falciparum 1
33573376 10.1021/acs.jmedchem.1c00034 No relevant target 1

Data from ChEMBL 36 via Core Engine