Compound Detail

CHEMBL1319362

HOMATROPINE HYDROBROMIDE

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Br.CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(O)c1ccccc1)C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1319362
Name	HOMATROPINE HYDROBROMIDE
Phase	Preclinical
Structure Type	MOL
InChI Key	DWSGTFTVBLXELC-RDYJJYPNSA-N
Therapeutic	✓ Yes
Parent Compound	CHEMBL1618018
Active Moiety	CHEMBL1618018

Dl-homatropine hydrobromide Homatropine hydrobromide Homatropini hydrobromidum NSC-757047

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

275.4

MW (Da)

1.89

ALogP

HBA

HBD

49.8

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

Molecule Type	Small molecule
Chirality	Racemic

USAN Stem

-trop-

IC50 6 meas. best 7.26

Ki 5 meas. best 7.85

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Muscarinic acetylcholine receptor M4 CHEMBL1821	Ki	7.85	7.85	14.0	1
Muscarinic acetylcholine receptor M3 CHEMBL245	Ki	7.8	7.8	16.0	1
Muscarinic acetylcholine receptor M1 CHEMBL216	Ki	7.5	7.5	32.0	1
Muscarinic acetylcholine receptor M5 CHEMBL2035	Ki	7.41	7.41	39.0	1
Muscarinic acetylcholine receptor M5 CHEMBL2035	IC50	7.26	7.26	55.0	1
Muscarinic acetylcholine receptor M2 CHEMBL211	Ki	7.12	7.12	75.0	1
Muscarinic acetylcholine receptor M3 CHEMBL245	IC50	7.12	7.12	76.0	1
Muscarinic acetylcholine receptor M4 CHEMBL1821	IC50	7.0	7.0	101.0	1
Muscarinic acetylcholine receptor M1 CHEMBL216	IC50	6.88	6.88	131.0	1
Muscarinic acetylcholine receptor M2 CHEMBL211	IC50	6.67	6.67	212.0	1
Plasmodium falciparum CHEMBL364	IC50	5.1	5.1	7943.3	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Muscarinic acetylcholine receptor M4	Ki	=	14.0	nM	7.85	DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Muscarinic acetylcholine receptor M3	Ki	=	16.0	nM	7.8	DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Muscarinic acetylcholine receptor M1	Ki	=	32.0	nM	7.5	DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Muscarinic acetylcholine receptor M5	Ki	=	39.0	nM	7.41	DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Muscarinic acetylcholine receptor M5	IC50	=	55.0	nM	7.26	DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Muscarinic acetylcholine receptor M3	IC50	=	76.0	nM	7.12	DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Muscarinic acetylcholine receptor M2	Ki	=	75.0	nM	7.12	DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Muscarinic acetylcholine receptor M4	IC50	=	101.0	nM	7.0	DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Muscarinic acetylcholine receptor M1	IC50	=	131.0	nM	6.88	DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Muscarinic acetylcholine receptor M2	IC50	=	212.0	nM	6.67	DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)	-
Plasmodium falciparum	IC50	=	7943.28	nM	5.1	Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr...	19734910

PubMed	DOI	Target Context	# Activities
17417631	10.1038/nchembio873	Unchecked	1
19734910	10.1038/nchembio.215	Plasmodium falciparum	1
23062825	10.1016/j.bmc.2012.09.040	Acetylcholinesterase	1
23062825	10.1016/j.bmc.2012.09.040	Cholinesterase	1
-	10.1101/2020.04.03.023846	SARS-CoV-2	1

Data from ChEMBL 36 via Core Engine