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

CHEMBL4759485

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[C@H]1CNC(=O)N1

Basic Information

ChEMBL ID CHEMBL4759485
Phase Preclinical
Structure Type MOL
InChI Key DWEQVNFWAKJCEY-VKHMYHEASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

100.1
MW (Da)
-0.31
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H8N2O
MW 100.12
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness 0.89

Activity Summary

Ki 1 meas. best 4.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Ki 4.47 4.47 34000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 34000.0 nM 4.47 Inhibition of avidin (unknown origin) 32539387

Literature References

PubMed DOI Target Context # Activities
32539387 10.1021/acs.jmedchem.0c00242 Unchecked 1

Data from ChEMBL 36 via Core Engine