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Compound Detail

CHEMBL186357

BRILLIANT GREEN HYDROCHLORIDE
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CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.[Cl-]

Basic Information

ChEMBL ID CHEMBL186357
Name BRILLIANT GREEN HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key FDZZZRQASAIRJF-UHFFFAOYSA-M
Parent Compound CHEMBL1181633
Active Moiety CHEMBL1181633
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.5
MW (Da)
4.39
ALogP
1
HBA
0
HBD
6.2
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 C23H25ClN2
MW 364.92
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.41

Activity Summary

Kd 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
Kd 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target Kd = 40.0 nM 7.4 Dissociation constant of the compound 15293991

Literature References

PubMed DOI Target Context # Activities
21803586 10.1016/j.bmc.2011.07.016 Unchecked 2
15293991 10.1021/jm030650o No relevant target 1
- 10.6019/EOS300108 HepG2 1

Data from ChEMBL 36 via Core Engine