Compound Detail

CHEMBL112570

CHOLESTEROL

🧪 Phase II

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🧪 Phase II

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL112570
Name	CHOLESTEROL
Phase	Phase II
Structure Type	MOL
InChI Key	HVYWMOMLDIMFJA-DPAQBDIFSA-N
Therapeutic	✓ Yes

Known Names

Cholest-5-en-3-ol (3.beta.)- Cholesterinum Cholesterol Cholesterol component of alf Cholesterol component of alf43 Cholesterol component of alfq Cholesterol component of army liposome formulation Dythol Lidinit Lidinite NSC-8798 Provitamin-d

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

386.7

MW (Da)

7.39

ALogP

HBA

HBD

20.2

PSA (Å²)

0.49

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

USAN Stem

-ster-; -terol

Extended Properties

Molecular Formula	C27H46O
MW	386.66
Aromatic Rings	0
Heavy Atoms	28
NP-Likeness	2.53

Indications

Asperger Syndrome Autistic Disorder Head and Neck Neoplasms Porokeratosis Smith-Lemli-Opitz Syndrome

Activity Summary

Kd 3 meas. best 7.17

EC50 2 meas. best 7.7

IC50 1 meas. best 5.09

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nuclear receptor ROR-gamma CHEMBL1741186	EC50	7.7	7.04	20.0	2
Oxysterol-binding protein 2 CHEMBL5465343	Kd	7.17	7.17	68.0	1
Oxysterol-binding protein 1 CHEMBL4523203	Kd	6.76	6.76	173.0	1
Cholesterol 24-hydroxylase CHEMBL4523510	Kd	6.17	6.17	670.0	1
ATP-dependent translocase ABCB1 CHEMBL4302	IC50	5.09	5.09	8200.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nuclear receptor ROR-gamma	EC50	=	20.0	nM	7.7	Agonist activity at 6xHis tagged human RORgammat LBD (262 to 507 residues) expre...	29412659
Oxysterol-binding protein 2	Kd	=	68.0	nM	7.17	Binding affinity to human ORP4	36916802
Oxysterol-binding protein 1	Kd	=	173.0	nM	6.76	Binding affinity to human OSBP	36916802
Nuclear receptor ROR-gamma	EC50	=	418.0	nM	6.38	Orthosteric agonist activity at recombinant human N-terminal His6-tagged RORgamm...	33854703
Cholesterol 24-hydroxylase	Kd	=	670.0	nM	6.17	Binding affinity to full-length recombinant human CYP46A1 by spectral binding st...	-
ATP-dependent translocase ABCB1	IC50	=	8200.0	nM	5.09	TP_TRANSPORTER: increase in Daunorubicn intracellular accumulation (Daunorubicin...	11027568

Literature References

PubMed	DOI	Target Context	# Activities
16565714	10.1038/nchembio782	Alpha-synuclein	11
33854703	10.1021/acsmedchemlett.1c00029	Nuclear receptor ROR-gamma	9
18818073	10.1016/j.bmcl.2008.09.029	Mycobacterium tuberculosis	5
12109909	10.1021/jm0102811	Monoclonal antibody (mAb)	4
32945672	10.1021/acs.jmedchem.0c00958	Lipid bilayer	4
11020281	10.1021/jm000905n	Rattus norvegicus	4
9873599	10.1016/s0960-894x(98)00478-8	Unchecked	4
22647881	10.1016/j.bmc.2012.05.003	Unchecked	4
33949869	10.1021/acs.jmedchem.1c00562	Unchecked	4
18440096	10.1016/j.ejmech.2007.09.022	Escherichia coli	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
18294737	10.1016/j.ejmech.2007.12.012	Staphylococcus aureus	2
19821610	10.1021/jm901063e	P19	2
18294737	10.1016/j.ejmech.2007.12.012	Streptococcus pyogenes	2
19821610	10.1021/jm901063e	U-937	2
22647881	10.1016/j.bmc.2012.05.003	Steroid C26-monooxygenase	2
26508549	10.1016/j.bmcl.2015.10.034	Isocitrate dehydrogenase [NADP] cytoplasmic	2
18294737	10.1016/j.ejmech.2007.12.012	Salmonella typhimurium	2
18294737	10.1016/j.ejmech.2007.12.012	Escherichia coli	2
11020281	10.1021/jm000905n	ADMET	2

Data from ChEMBL 36 via Core Engine