Compound Detail

CHEMBL577294

2-HYDROXYPROPYL-BETA-CYCLODEXTRIN

🧪 Phase III

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🧪 Phase III

CC(O)COC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8COCC(C)O)O[C@@H]7COCC(C)O)O[C@@H]6COCC(C)O)O[C@@H]5COCC(C)O)O[C@@H]4COCC(C)O)O[C@@H]3COCC(C)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL577294
Name	2-HYDROXYPROPYL-BETA-CYCLODEXTRIN
Phase	Phase III
Structure Type	MOL
InChI Key	ODLHGICHYURWBS-LKONHMLTSA-N

Known Names

2-hydroxypropyl-beta-cyclodextrin Hpbcd Hydroxyl-propyl-beta-cyclodextrin Hydroxypropyl .beta.-cyclodextrin Hydroxypropyl bcd Hydroxypropyl betacyclodextrin Hydroxypropyl betadex Hydroxypropyl-bcyclodextrin Hydroxypropylbetadex

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

1541.5

MW (Da)

Drug Information

Molecule Type	Oligosaccharide
Chirality	Racemic

Extended Properties

Molecular Formula	C63H112O42
MW	1541.55

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Cholesterol sequestering agent	SEQUESTERING AGENT	Cholesterol	✓	✓

Indications

Niemann-Pick Disease, Type C Alzheimer Disease Herpes Labialis

Activity Summary

IC50 7 meas. best 7.2

Ki 5 meas. best 7.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
5-hydroxytryptamine receptor 2B CHEMBL1833	Ki	7.4	7.4	40.0	1
5-hydroxytryptamine receptor 2B CHEMBL1833	IC50	7.2	7.2	63.0	1
Amine oxidase [flavin-containing] A CHEMBL1951	IC50	6.78	6.78	167.0	1
5-hydroxytryptamine receptor 2C CHEMBL225	Ki	6.08	6.08	833.0	1
Sodium-dependent noradrenaline transporter CHEMBL222	IC50	5.9	5.9	1270.0	1
Sodium-dependent noradrenaline transporter CHEMBL222	Ki	5.9	5.9	1260.0	1
Sodium-dependent dopamine transporter CHEMBL238	Ki	5.87	5.87	1341.0	1
Androgen receptor CHEMBL3072	Ki	5.84	5.84	1440.0	1
5-hydroxytryptamine receptor 2C CHEMBL225	IC50	5.8	5.8	1590.0	1
Sodium-dependent dopamine transporter CHEMBL238	IC50	5.77	5.77	1687.0	1
Androgen receptor CHEMBL3072	IC50	5.67	5.67	2160.0	1
Tyrosine-protein kinase Fyn CHEMBL1841	IC50	5.52	5.52	3043.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
5-hydroxytryptamine receptor 2B	Ki	=	40.0	nM	7.4	DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: ...	-
5-hydroxytryptamine receptor 2B	IC50	=	63.0	nM	7.2	DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: ...	-
Amine oxidase [flavin-containing] A	IC50	=	167.0	nM	6.78	DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine)	-
5-hydroxytryptamine receptor 2C	Ki	=	833.0	nM	6.08	DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: ...	-
Sodium-dependent noradrenaline transporter	IC50	=	1270.0	nM	5.9	DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-5...	-
Sodium-dependent noradrenaline transporter	Ki	=	1260.0	nM	5.9	DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-5...	-
Sodium-dependent dopamine transporter	Ki	=	1341.0	nM	5.87	DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)	-
Androgen receptor	Ki	=	1440.0	nM	5.84	DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Miboler...	-
5-hydroxytryptamine receptor 2C	IC50	=	1590.0	nM	5.8	DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: ...	-
Sodium-dependent dopamine transporter	IC50	=	1687.0	nM	5.77	DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55)	-
Androgen receptor	IC50	=	2160.0	nM	5.67	DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Miboler...	-
Tyrosine-protein kinase Fyn	IC50	=	3043.0	nM	5.52	DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:...	-

Literature References

PubMed	DOI	Target Context	# Activities
19678643	10.1021/jm801176e	ADMET	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
19678643	10.1021/jm801176e	TZM	1
20970221	10.1016/j.ejmech.2010.09.062	HL-60	1
20970221	10.1016/j.ejmech.2010.09.062	SAOS-2	1
15139519	10.1023/b:pham.0000022409.27896.d4	ATP-dependent translocase ABCB1	1

Data from ChEMBL 36 via Core Engine