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

CHEMBL92123

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
Br.Br.Br.Br.CCNCCCNCCCNCCCNCC1CCCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL92123
Phase Preclinical
Structure Type MOL
InChI Key SHVYTPNLMMPPGE-UHFFFAOYSA-N
Parent Compound CHEMBL447829
Active Moiety CHEMBL447829
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.6
MW (Da)
2.51
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H46Br4N4
MW 650.22
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness -0.06

Activity Summary

IC50 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H157
CHEMBL614783
 IC50 6.3 6.3 500.0 1
NCH82
CHEMBL614191
 IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H157 IC50 = 500.0 nM 6.3 Compound was evaluated for inhibitory activity against H157 non-small cell lung ... -
NCH82 IC50 = 1700.0 nM 5.77 Compound was evaluated for inhibitory activity against H82 small cell lung carci... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00510-0 Trypanosoma brucei 4
- 10.1016/S0960-894X(96)00510-0 NCI-H157 1
- 10.1016/S0960-894X(96)00510-0 NCH82 1

Data from ChEMBL 36 via Core Engine