Compound Detail

CHEMBL284328

HOMIDIUM BROMIDE

🧪 Phase II

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🧪 Phase II

CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[Br-]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL284328
Name	HOMIDIUM BROMIDE
Phase	Phase II
Structure Type	MOL
InChI Key	ZMMJGEGLRURXTF-UHFFFAOYSA-N
Parent Compound	CHEMBL48166
Active Moiety	CHEMBL48166

Known Names

Bromure d'homidium Bromuro de homidio Dromilac Homidium bromide NSC-268986

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

314.4

MW (Da)

4.13

ALogP

HBA

HBD

55.9

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem

-ium

Extended Properties

Molecular Formula	C21H20BrN3
MW	394.32
Aromatic Rings	4
Heavy Atoms	24
NP-Likeness	0.27

Activity Summary

IC50 31 meas. best 7.0

Kd 4 meas. best 5.92

EC50 1 meas. best 6.22

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
A2780 CHEMBL614004	IC50	7.0	7.0	100.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.4	6.4	400.0	1
Hepatitis C virus CHEMBL379	EC50	6.22	6.22	600.0	1
Hepatitis C virus CHEMBL379	IC50	6.09	5.755	810.0	2
Thiosulfate sulfurtransferase CHEMBL4295835	IC50	6.08	6.08	830.0	1
Supercoiled DNA CHEMBL4649925	Kd	5.92	5.92	1200.0	1
Unchecked CHEMBL612545	IC50	5.81	5.536	1558.0	5
Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247	IC50	5.7	5.7	2000.0	1
Telomerase reverse transcriptase CHEMBL2916	IC50	5.68	5.5964	2100.0	14
GroEL/GroES CHEMBL4106139	IC50	5.62	5.62	2400.0	1
Glutamate NMDA receptor CHEMBL1907608	IC50	5.5	5.315	3130.0	2
SK-OV-3 CHEMBL614925	IC50	5.35	5.35	4500.0	1
Nucleic Acid CHEMBL345	Kd	5.3	5.3	5000.0	1
Multidrug resistance protein MdtK CHEMBL1681613	Kd	5.01	5.01	9800.0	1
Unchecked CHEMBL612545	Kd	4.91	4.91	12300.0	1
Polyadenylate-binding protein 1 CHEMBL1293286	IC50	4.39	4.39	40380.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
Ka	2.0	10'5/M	-
Ka	1.8	10'6/M	-
Ka	9.3	10'6/M	-

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
A2780	IC50	=	100.0	nM	7.0	Concentration required to inhibit 50% of human carcinoma A2780 cell lines	15501053
NON-PROTEIN TARGET	IC50	=	400.0	nM	6.4	Concentration required to inhibit 50% of human carcinoma CH1 cell lines	15501053
Hepatitis C virus	EC50	=	600.0	nM	6.22	Antiviral activity against Hepatitis C virus H2B2	20363140
Hepatitis C virus	IC50	=	810.0	nM	6.09	Inhibition of HCV genotype 1b NS5B polymerase deltaC21 mutant	20363140
Thiosulfate sulfurtransferase	IC50	=	830.0	nM	6.08	Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodane...	30852084
Supercoiled DNA	Kd	=	1200.0	nM	5.92	Binding affinity to supercoiled DNA (unknown origin) by SPR assay	31901379
Unchecked	IC50	=	1558.0	nM	5.81	PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ...	-
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	2000.0	nM	5.7	Inhibition of HIV-1 reverse transcriptase using Poly(rA).p(dT) (12 to 18) as sub...	22695131
Telomerase reverse transcriptase	IC50	=	2100.0	nM	5.68	Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-...	24119869
Telomerase reverse transcriptase	IC50	=	2100.0	nM	5.68	Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA	25554922
Telomerase reverse transcriptase	IC50	=	2160.0	nM	5.67	Inhibition of telomerase activity in human CNE-2 cells	28888820
Telomerase reverse transcriptase	IC50	=	2180.0	nM	5.66	Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA me...	26883149
Telomerase reverse transcriptase	IC50	=	2330.0	nM	5.63	Inhibition of telomerase in human MDA-MB-231 cells after 24 hrs by TRAP-PCR-ELIS...	25965778
Telomerase reverse transcriptase	IC50	=	2390.0	nM	5.62	Inhibition of telomerase-mediated supercoiling activity in human MGC803 cells af...	23265905
GroEL/GroES	IC50	=	2400.0	nM	5.62	Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Esch...	30852084
Telomerase reverse transcriptase	IC50	=	2470.0	nM	5.61	Inhibition of telomerase supercoiling activity in human MGC803 cells after 24 hr...	22405648
Telomerase reverse transcriptase	IC50	=	2500.0	nM	5.6	Inhibition of telomerase in human SGC7901 cells by TRAP assay	20800480
Telomerase reverse transcriptase	IC50	=	2500.0	nM	5.6	Inhibition of telomerase in human SGC7901 cells by TRAP assay	20947362
Telomerase reverse transcriptase	IC50	=	2600.0	nM	5.58	Inhibition of telomerase activity expressed in human SGC7901 cells by SYBER gree...	21486698
Telomerase reverse transcriptase	IC50	=	2600.0	nM	5.58	Inhibition of telomerase in human SGC7901 cells by TRAP assay	23312949

Literature References

PubMed	DOI	Target Context	# Activities
20937787	10.1128/aac.00672-10	Streptococcus pneumoniae	180
17502409	10.1128/aac.00158-07	Staphylococcus aureus	21
18694955	10.1128/aac.00661-08	NON-PROTEIN TARGET	16
17470656	10.1128/aac.00143-07	Escherichia coli	15
20660673	10.1128/aac.01065-09	Staphylococcus aureus	10
17470651	10.1128/aac.00039-07	ADMET	9
28964936	10.1016/j.ejmech.2017.09.014	Mycobacterium avium	8
17548499	10.1128/aac.00339-07	Escherichia coli	7
20176911	10.1128/aac.01374-09	Staphylococcus aureus	7
18725450	10.1128/aac.00245-08	Pasteurella multocida	7
30067360	10.1021/acs.jmedchem.8b00791	Staphylococcus aureus	6
17242152	10.1128/aac.01315-06	Staphylococcus aureus	6
17470651	10.1128/aac.00039-07	H9c2	6
18573660	10.1016/j.bmcl.2008.05.090	Unchecked	6
17638702	10.1128/aac.00072-07	Enterobacter cloacae	6
18268083	10.1128/aac.01052-07	NON-PROTEIN TARGET	6
28063783	10.1016/j.bmc.2016.12.031	Unchecked	6
20038628	10.1128/aac.01126-09	Escherichia coli	5
19884363	10.1128/aac.01168-09	Escherichia coli	4
19884363	10.1128/aac.01168-09	Neisseria meningitidis	4

Data from ChEMBL 36 via Core Engine