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

CHEMBL3238360

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
CC(C)(C)OC(=O)N1CCc2ncc3c(c2C1)C(=O)C1=C(C3=O)C2CCC1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3238360
Phase Preclinical
Structure Type MOL
InChI Key RHSRAWAZWZYTEB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
3.48
ALogP
5
HBA
0
HBD
76.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O4
MW 380.44
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ADMET
CHEMBL612558
 IC50 5.13 5.13 7330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ADMET IC50 = 7330.0 nM 5.13 Cytotoxicity against mouse J774A1 cells assessed as cell viability after 24 hrs ... 24611928

Literature References

PubMed DOI Target Context # Activities
24611928 10.1021/jm401735w Mycobacterium tuberculosis 1
24611928 10.1021/jm401735w ADMET 1
24611928 10.1021/jm401735w Unchecked 1

Data from ChEMBL 36 via Core Engine