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

CHEMBL153699

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
COC(=O)Nc1nc2cc(C(=O)NCC(C)(C)C)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153699
Phase Preclinical
Structure Type MOL
InChI Key LOFMYAIVSBDNSH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.52
ALogP
4
HBA
3
HBD
96.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4O3
MW 304.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 5.07 5.07 8600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 8600.0 nM 5.07 In vitro for its inhibitory activity against L1210 murine leukemia cell growth 1738146

Literature References

PubMed DOI Target Context # Activities
1738146 10.1021/jm00081a016 Acanthocheilonema viteae 4
1738146 10.1021/jm00081a016 L1210 2

Data from ChEMBL 36 via Core Engine