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

CHEMBL2012470

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)C(c2ccccc2O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012470
Phase Preclinical
Structure Type MOL
InChI Key UZDQLLPGHXIQRR-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
2.92
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.93
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 C18H25N3O2
MW 315.42
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.93

Activity Summary

IC50 3 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SGC-7901
CHEMBL614909
 IC50 4.95 4.95 11220.0 1
MGC-803
CHEMBL3706566
 IC50 4.93 4.93 11700.0 1
Bcap37
CHEMBL613842
 IC50 4.79 4.79 16330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SGC-7901 IC50 = 11220.0 nM 4.95 Cytotoxicity against human SGC7901 cells after 48 hrs by MTT assay 22405648
MGC-803 IC50 = 11700.0 nM 4.93 Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay 22405648
Bcap37 IC50 = 16330.0 nM 4.79 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