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

CHEMBL1383031

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
O=C(NCc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1

Basic Information

ChEMBL ID CHEMBL1383031
Phase Preclinical
Structure Type MOL
InChI Key BNPLLZIDWXJZHJ-UHFFFAOYSA-N
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.2
MW (Da)
2.15
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.76
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 C15H11BrN4O3
MW 375.18
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.78

Activity Summary

IC50 7 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Estrogen receptor beta
CHEMBL242
IC50 6.44 6.44 363.3 1
DNA dC->dU-editing enzyme APOBEC-3A
CHEMBL1741179
IC50 5.01 4.7933 9820.0 3
DNA dC->dU-editing enzyme APOBEC-3G
CHEMBL1741217
IC50 4.46 4.2833 35000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine