Compound Detail

CHEMBL1293

BETA CAROTENE

💊 Approved Drug

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💊 Approved Drug

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1293
Name	BETA CAROTENE
Phase	Approved
Structure Type	MOL
InChI Key	OENHQHLEOONYIE-JLTXGRSLSA-N

Known Names

.beta.-carotene All-trans-.beta.-carotene Beta carotene Beta, beta-carotene Beta,beta-carotene Beta-carotene Betacarotene Betacaroteno Betavit C.I.-40800 Caroten base 35468 Carotene,beta +18 more

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

536.9

MW (Da)

12.61

ALogP

HBA

HBD

0.0

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1982
Availability	Discontinued
Chirality	Achiral

Routes of Administration

Oral

Flags

Natural Product

USAN Stem	-arotene
USAN Year	1977

Extended Properties

Molecular Formula	C40H56
MW	536.89
Aromatic Rings	0
Heavy Atoms	40
NP-Likeness	1.13

Indications

Cataract Crohn Disease Macular Degeneration Heart Diseases Myocardial Infarction Myocardial Ischemia

ATC Classification

A11CA02

betacarotene

Level 1: ALIMENTARY TRACT AND METABOLISM

Level 2: VITAMINS

D02BB01

betacarotene

Level 1: DERMATOLOGICALS

Level 2: EMOLLIENTS AND PROTECTIVES

Activity Summary

IC50 5 meas. best 7.9

Ki 2 meas. best 6.47

EC50 1 meas. best 5.2

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human gammaherpesvirus 4 CHEMBL613124	IC50	7.9	7.9	12.7	1
Solute carrier organic anion transporter family member 1B1 CHEMBL1697668	Ki	6.47	6.47	340.0	1
Solute carrier organic anion transporter family member 1B1 CHEMBL1697668	IC50	6.21	6.21	616.6	1
Solute carrier organic anion transporter family member 1B3 CHEMBL1743121	Ki	5.65	5.65	2260.0	1
Solute carrier organic anion transporter family member 1B3 CHEMBL1743121	IC50	5.53	5.53	2951.2	1
Hepatitis C virus CHEMBL379	EC50	5.2	5.2	6300.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.77	4.77	16900.0	1
Genome polyprotein CHEMBL1293305	IC50	4.53	4.53	29693.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human gammaherpesvirus 4	IC50	=	12.7	nM	7.9	Inhibition of TPA-induced Epstein-Barr virus early antigen activation in Raji ce...	17503850
Solute carrier organic anion transporter family member 1B1	Ki	=	340.0	nM	6.47	Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells	23571415
Solute carrier organic anion transporter family member 1B1	IC50	=	616.6	nM	6.21	pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO ce...	23571415
Solute carrier organic anion transporter family member 1B3	Ki	=	2260.0	nM	5.65	Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells	23571415
Solute carrier organic anion transporter family member 1B3	IC50	=	2951.21	nM	5.53	pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO ce...	23571415
Hepatitis C virus	EC50	=	6300.0	nM	5.2	Antiviral activity against HCV assessed as inhibition of HCV RNA replication in ...	17420205
NON-PROTEIN TARGET	IC50	=	16900.0	nM	4.77	Antioxidant activity assessed as hydrogen peroxide scavenging activity by peroxy...	19853459
Genome polyprotein	IC50	=	29693.0	nM	4.53	PUBCHEM_BIOASSAY: TR-FRET-based biochemical high-throughput dose response assay ...	-

Literature References

PubMed	DOI	Target Context	# Activities
12662094	10.1021/np0203640	Unchecked	5
19746919	10.1021/np9003239	Unchecked	5
14695801	10.1021/np0302293	Unchecked	5
11429990	10.1021/np000333+	Unchecked	5
17190444	10.1021/np068016b	Unchecked	5
17503850	10.1021/np068044u	Human gammaherpesvirus 4	5
14695799	10.1021/np0302450	Unchecked	5
12608849	10.1021/np020290s	Unchecked	5
17685651	10.1021/np068075p	Unchecked	4
11429990	10.1021/np000333+	Raji	4
10869208	10.1021/np0000217	Unchecked	4
17420205	10.1128/aac.01426-06	Hepatitis C virus	4
8984150	10.1021/np960022s	Unchecked	4
15387647	10.1021/np0400611	Raji	4
15043419	10.1021/np030393q	Unchecked	4
17488130	10.1021/np0780001	Human gammaherpesvirus 4	4
15387647	10.1021/np0400611	Unchecked	4
17480098	10.1021/np068065o	Human gammaherpesvirus 4	4
17477572	10.1021/np068074x	Human gammaherpesvirus 4	4
11858748	10.1021/np010377y	Unchecked	4

Data from ChEMBL 36 via Core Engine