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

CHEMBL2012473

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=NN(C(=O)CN2CCCCC2C(N)=O)C(c2ccccc2O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012473
Phase Preclinical
Structure Type MOL
InChI Key HRGUUQQAMDZERA-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
1.38
ALogP
5
HBA
2
HBD
99.2
PSA (Ų)
0.86
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 C18H24N4O3
MW 344.42
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.91

Activity Summary

IC50 3 meas. best 4.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MGC-803
CHEMBL3706566
 IC50 4.41 4.41 38790.0 1
SGC-7901
CHEMBL614909
 IC50 4.41 4.41 39220.0 1
Bcap37
CHEMBL613842
 IC50 4.39 4.39 41050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SGC-7901 IC50 = 39220.0 nM 4.41 Cytotoxicity against human SGC7901 cells after 48 hrs by MTT assay 22405648
MGC-803 IC50 = 38790.0 nM 4.41 Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay 22405648
Bcap37 IC50 = 41050.0 nM 4.39 Cytotoxicity against human Bcap37 cells after 48 hrs by MTT assay 22405648

Literature References

PubMed DOI Target Context # Activities
22405648 10.1016/j.ejmech.2012.02.040 SGC-7901 1
22405648 10.1016/j.ejmech.2012.02.040 MGC-803 1
22405648 10.1016/j.ejmech.2012.02.040 Bcap37 1

Data from ChEMBL 36 via Core Engine