kojic acid

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Stem definition	Drug id	CAS RN
	3977	501-30-4

Stem definition

Drug id

CAS RN

3977

501-30-4

Molecule	Description
Molfile Inchi Smiles Synonyms: kojic acid 5-Hydroxy-2-hydroxymethyl-4H-pyran-4-one	Molecular weight: 142.11 Formula: C6H6O4 CLOGP: -1.39 LIPINSKI: 0 HAC: 4 HDO: 2 TPSA: 66.76 ALOGS: -0.19 ROTB: 1

Molecule

Description

Molfile Inchi Smiles

Synonyms:

kojic acid
5-Hydroxy-2-hydroxymethyl-4H-pyran-4-one

Molecular weight: 142.11
Formula: C6H6O4
CLOGP: -1.39
LIPINSKI: 0
HAC: 4
HDO: 2
TPSA: 66.76
ALOGS: -0.19
ROTB: 1

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Property	Description	Value	Unit	Confidence	Similarity
azlogd74	LogD at pH 7.4	-1.425		Moderate	0.67
caco2-efflux	Caco-2 efflux ratio (BA/AB)	1.429		Moderate	0.67
caco2-intrinsic-papp	Caco-2 intrinsic apparent permeability	8.222	10^-6 cm/s	Moderate	0.67
dh-clint	Dog hepatocyte intrinsic clearance	1.652	uL/min/10^6 cells	Moderate	0.67
dppb	Dog plasma protein binding (% unbound)	75.470	%	Moderate	0.67
fcs-ppb	Fetal calf serum protein binding (% unbound)	77.780	%	Moderate	0.67
herg	hERG pIC50	4.127	pIC50	Moderate	0.67
hh-clint	Human hepatocyte intrinsic clearance	2.612	uL/min/10^6 cells	Moderate	0.67
hlm-clint	Human liver microsomal intrinsic clearance	3.228	uL/min/mg protein	Moderate	0.67
hppb	Human plasma protein binding (% unbound)	60.820	%	Moderate	0.67
kinase-safety-class	ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK2,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,IKBKB,IRAK1,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM1,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70	81
kinase-selectivity-class	ACVR2A,ACVR2B,ACVRL1,AURKB,AXL,BMX,BRAF,CAMK2B,CAMK2D,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,IRAK1,JAK2,KIT,MAP2K6,MAP3K14,MAPK1,MAPK12,MAPK7,MAPK8,MARK4,PIK3CA,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK	36
mdck-mdr1-efflux	MDCK-MDR1 efflux ratio	2.133		Moderate	0.67
mh-clint	Mouse hepatocyte intrinsic clearance	31.915		Moderate	0.67
mppb	Mouse plasma protein binding (% unbound)	87.570		Moderate	0.67
nih-mdck-mdr1-efflux	NIH MDCK-MDR1 efflux ratio	1.199		Moderate	0.67
pfas-class	PFAS structural alert (1 = True, 0 = False)	0
pppb	Pig plasma protein binding (% unbound)	53.510	%	Moderate	0.67
rh-clint	Rat hepatocyte intrinsic clearance	11.885	uL/min/10^6 cells	Moderate	0.67
rh-fuinc	Rat hepatocyte fraction unbound in incubation	97.360	%	Moderate	0.67
rppb	Rat plasma protein binding (% unbound)	46.320	%	Moderate	0.67
solubility-dd	Solubility at pH 7.4 in DMSO	1142.878	uM	Moderate	0.67

Property

Description

Value

Unit

Confidence

Similarity

azlogd74

LogD at pH 7.4

-1.425

Moderate

0.67

caco2-efflux

Caco-2 efflux ratio (BA/AB)

1.429

Moderate

0.67

caco2-intrinsic-papp

Caco-2 intrinsic apparent permeability

8.222

10^-6 cm/s

Moderate

0.67

dh-clint

Dog hepatocyte intrinsic clearance

1.652

uL/min/10^6 cells

Moderate

0.67

dppb

Dog plasma protein binding (% unbound)

75.470

Moderate

0.67

fcs-ppb

Fetal calf serum protein binding (% unbound)

77.780

Moderate

0.67

herg

hERG pIC50

4.127

pIC50

Moderate

0.67

hh-clint

Human hepatocyte intrinsic clearance

2.612

uL/min/10^6 cells

Moderate

0.67

hlm-clint

Human liver microsomal intrinsic clearance

3.228

uL/min/mg protein

Moderate

0.67

hppb

Human plasma protein binding (% unbound)

60.820

Moderate

0.67

kinase-safety-class

ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AURKB,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK2,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,IKBKB,IRAK1,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIM1,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SGK1,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70

kinase-selectivity-class

ACVR2A,ACVR2B,ACVRL1,AURKB,AXL,BMX,BRAF,CAMK2B,CAMK2D,CDK4,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,IRAK1,JAK2,KIT,MAP2K6,MAP3K14,MAPK1,MAPK12,MAPK7,MAPK8,MARK4,PIK3CA,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK

mdck-mdr1-efflux

MDCK-MDR1 efflux ratio

2.133

Moderate

0.67

mh-clint

Mouse hepatocyte intrinsic clearance

31.915

Moderate

0.67

mppb

Mouse plasma protein binding (% unbound)

87.570

Moderate

0.67

nih-mdck-mdr1-efflux

NIH MDCK-MDR1 efflux ratio

1.199

Moderate

0.67

pfas-class

PFAS structural alert (1 = True, 0 = False)

pppb

Pig plasma protein binding (% unbound)

53.510

Moderate

0.67

rh-clint

Rat hepatocyte intrinsic clearance

11.885

uL/min/10^6 cells

Moderate

0.67

rh-fuinc

Rat hepatocyte fraction unbound in incubation

97.360

Moderate

0.67

rppb

Rat plasma protein binding (% unbound)

46.320

Moderate

0.67

solubility-dd

Solubility at pH 7.4 in DMSO

1142.878

Moderate

0.67

Pharmacologic Action:

Source	Code	Description
MeSH PA	D000975	Antioxidants
MeSH PA	D020011	Protective Agents
CHEBI has role	CHEBI:59997	EC 1.14.18.1 (tyrosinase) inhibitor
CHEBI has role	CHEBI:73240	NF-κB inhibitor
CHEBI has role	CHEBI:76956	<em>Aspergillus </em> metabolite
CHEBI has role	CHEBI:85046	skin lightening agent
CHEBI has role	CHEBI:85049	EC 1.10.3.1 (catechol oxidase) inhibitor
CHEBI has role	CHEBI:85050	EC 1.10.3.2 (laccase) inhibitor
CHEBI has role	CHEBI:85051	EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor
CHEBI has role	CHEBI:85052	EC 1.4.3.3 (<small>D</small>-amino-acid oxidase) inhibitor

Source

Code

Description

MeSH PA

D000975

Antioxidants

MeSH PA

D020011

Protective Agents

CHEBI has role

CHEBI:59997

EC 1.14.18.1 (tyrosinase) inhibitor

CHEBI has role

CHEBI:73240

NF-κB inhibitor

CHEBI has role

CHEBI:76956

<em>Aspergillus </em> metabolite

CHEBI has role

CHEBI:85046

skin lightening agent

CHEBI has role

CHEBI:85049

EC 1.10.3.1 (catechol oxidase) inhibitor

CHEBI has role

CHEBI:85050

EC 1.10.3.2 (laccase) inhibitor

CHEBI has role

CHEBI:85051

EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor

CHEBI has role

CHEBI:85052

EC 1.4.3.3 (<small>D</small>-amino-acid oxidase) inhibitor

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	8.13	acidic
pKa2	12.5	acidic

Dissociation level

Dissociation constant

Type (acidic/basic)

pKa1

8.13

acidic

pKa2

12.5

acidic

Bioactivity Summary:

Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Tyrosinase	Enzyme	P14679	TYRO_HUMAN	IC50	5.13	CHEMBL
D-amino-acid oxidase	Enzyme	P14920	OXDA_HUMAN	IC50	5.70	CHEMBL
Polyphenol oxidase 2	Enzyme		PPO2_AGABI	Ki	4.65	CHEMBL
D-amino-acid oxidase	Enzyme		OXDA_PIG	Ki	4.68	CHEMBL
Tyrosinase	Enzyme		TYRO_MOUSE	IC50	4.21	CHEMBL
Polymerase acidic protein	Enzyme		PA_I34A1	IC50	4.91	CHEMBL
Tyrosinase	Enzyme		B2ZB02_BACME	IC50	4.28	CHEMBL
Polyphenol oxidase 1	Enzyme		PPO1_AGABI	IC50	4.82	CHEMBL

Target

Class

Pharos

UniProt

Action

Type

Activity value
(-log[M])

Mechanism
action

Bioact source

MoA source

Tyrosinase

Enzyme

P14679

TYRO_HUMAN

IC50

5.13

CHEMBL

D-amino-acid oxidase

Enzyme

P14920

OXDA_HUMAN

IC50

5.70

CHEMBL

Polyphenol oxidase 2

Enzyme

PPO2_AGABI

4.65

CHEMBL

D-amino-acid oxidase

Enzyme

OXDA_PIG

4.68

CHEMBL

Tyrosinase

Enzyme

TYRO_MOUSE

IC50

4.21

CHEMBL

Polymerase acidic protein

Enzyme

PA_I34A1

IC50

4.91

CHEMBL

Tyrosinase

Enzyme

B2ZB02_BACME

IC50

4.28

CHEMBL

Polyphenol oxidase 1

Enzyme

PPO1_AGABI

IC50

4.82

CHEMBL

ID	Source
C0064401	UMLSCUI
CHEBI:43572	CHEBI
KOJ	PDB_CHEM_ID
CHEMBL287556	ChEMBL_ID
DB01759	DRUGBANK_ID
3840	PUBCHEM_CID
C011890	MESH_SUPPLEMENTAL_RECORD_UI
6K23F1TT52	UNII
1426451	RXNORM
NOCODE	MMSL
007822	NDDF
6K23F1TT52	INXIGHT DRUGS

Source

C0064401

UMLSCUI

CHEBI

PDB_CHEM_ID

ChEMBL_ID

DRUGBANK_ID

PUBCHEM_CID

MESH_SUPPLEMENTAL_RECORD_UI

6K23F1TT52

UNII

1426451

RXNORM

NOCODE

MMSL

007822

NDDF

6K23F1TT52

INXIGHT DRUGS

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
MELAO Whitening Cream	HUMAN OTC DRUG LABEL	3	74458-134	CREAM	0.70 g	TOPICAL	OTC Monograph Drug	10 sections
GZE KOJIC ACID CORRECTOR SERUM	HUMAN OTC DRUG LABEL	3	74458-315	CAPSULE	1.30 g	TOPICAL	OTC Monograph Drug	10 sections
GZE KOJIC ACID TURMERIC CLEANSING PADS	HUMAN OTC DRUG LABEL	3	74458-351	PATCH	0.80 g	TOPICAL	OTC Monograph Drug	11 sections
MELAO Kojic Acid BodyLotion	HUMAN OTC DRUG LABEL	2	74458-357	LOTION	0.50 g	TOPICAL	OTC Monograph Drug	10 sections
GZE Lemon Turmeric Kojic Acid LiquidSoap	HUMAN OTC DRUG LABEL	1	74458-404	LIQUID	0.60 g	TOPICAL	OTC Monograph Drug	11 sections
AnubisMed	HUMAN OTC DRUG LABEL	14	83021-401	LIQUID	2.50 g	TOPICAL	OTC monograph final	9 sections
Deodorant Underarms Body Skin	HUMAN OTC DRUG LABEL	1	84019-008	PASTE	1 g	CUTANEOUS	OTC Monograph Drug	11 sections
Kojic Acid Turmeric Cleansing Pads	HUMAN OTC DRUG LABEL	1	84019-015	CLOTH	100 mg	CUTANEOUS	OTC Monograph Drug	8 sections
TurmericKojicSoap	HUMAN OTC DRUG LABEL	1	84019-017	SOAP	100 mg	CUTANEOUS	OTC Monograph Drug	8 sections
KOJIC ACID Cream	HUMAN OTC DRUG LABEL	2	84025-095	CREAM	5 mg	CUTANEOUS	OTC Monograph Drug	5 sections
Firming NeckStick	HUMAN OTC DRUG LABEL	2	84025-102	CREAM	5 mg	CUTANEOUS	OTC Monograph Drug	5 sections
GLYCOLIC ACID PADS	HUMAN OTC DRUG LABEL	2	84025-162	DRESSING	5 mg	CUTANEOUS	OTC Monograph Drug	5 sections
TURMERIC KOJIC ACIDCLEANSINGPADS	HUMAN OTC DRUG LABEL	2	84025-163	SPONGE	5 mg	CUTANEOUS	OTC Monograph Drug	5 sections
Turmeric Facial cleanser	HUMAN OTC DRUG LABEL	2	84025-185	LIQUID	3 mg	CUTANEOUS	OTC Monograph Drug	5 sections
Kojic acid and turmeric interface pad	HUMAN OTC DRUG LABEL	2	84025-299	SWAB	3 mg	CUTANEOUS	OTC Monograph Drug	5 sections
remove black milk cream	HUMAN OTC DRUG LABEL	2	84025-307	CREAM	5 mg	CUTANEOUS	OTC Monograph Drug	5 sections
Whitening Turmeric Oil	HUMAN OTC DRUG LABEL	2	84423-003	OIL	0.40 mg	CUTANEOUS	OTC Monograph Drug	8 sections
Glutathione And Kojic Atid Exfoliating BlackSoap	HUMAN OTC DRUG LABEL	3	84423-011	SOAP	0.25 mg	CUTANEOUS	OTC Monograph Drug	9 sections
Whitening ExfoliatingSoap	HUMAN OTC DRUG LABEL	2	84423-012	SOAP	1.25 mg	CUTANEOUS	OTC Monograph Drug	8 sections
MIRACLE SUPER WHITE BODYLOTION	HUMAN OTC DRUG LABEL	5	84423-031	EMULSION	4 mg	CUTANEOUS	OTC Monograph Drug	8 sections
7Days Advanced Whitening BodyLotion	HUMAN OTC DRUG LABEL	3	84423-032	EMULSION	5 mg	CUTANEOUS	OTC Monograph Drug	8 sections
strong whitening bodylotion	HUMAN OTC DRUG LABEL	4	84423-045	EMULSION	2.50 mg	CUTANEOUS	OTC Monograph Drug	8 sections
ULTIMATE WHITENING BODYLOTION	HUMAN OTC DRUG LABEL	3	84423-047	EMULSION	5 g	CUTANEOUS	OTC Monograph Drug	8 sections
Motherrepairoil	HUMAN OTC DRUG LABEL	3	84423-050	EXTRACT	0.40 g	CUTANEOUS	OTC Monograph Drug	8 sections
Morocco Argan Oil	HUMAN OTC DRUG LABEL	3	84423-051	OIL	0.40 g	CUTANEOUS	OTC Monograph Drug	8 sections
StrongWhiteningSoap	HUMAN OTC DRUG LABEL	5	84423-053	SOAP	0.25 g	CUTANEOUS	OTC Monograph Drug	8 sections
RetinolOil	HUMAN OTC DRUG LABEL	3	84423-059	OIL	0.40 g	CUTANEOUS	OTC Monograph Drug	8 sections
KnucklePeelingCream	HUMAN OTC DRUG LABEL	6	84423-063	CREAM, AUGMENTED	0.05 g	CUTANEOUS	OTC Monograph Drug	8 sections
KNUCKLEPEELINGBODYOIL	HUMAN OTC DRUG LABEL	2	84423-065	CREAM, AUGMENTED	2.50 g	CUTANEOUS	OTC Monograph Drug	8 sections
Super Lightening Based on Gold 24k and Kojic Acid Cream	HUMAN OTC DRUG LABEL	6	84423-068	CREAM, AUGMENTED	0.50 g	CUTANEOUS	OTC Monograph Drug	8 sections

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kojic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Description:

Drug dosage:

ADMET properties:

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Approvals:

FDA Adverse Event Reporting System (Female)

FDA Adverse Event Reporting System (Male)

FDA Adverse Event Reporting System (Geriatric)

FDA Adverse Event Reporting System (Pediatric)

Pharmacologic Action:

Drug Use | Suggest Off label Use Form| |View source of the data|

🐶 Veterinary Drug Use

🐶 Veterinary products

Acid dissociation constants calculated using MoKa v3.0.0

Orange Book patent data (new drug applications)

Orange Book exclusivity data (new drug applications)

Bioactivity Summary:

External reference:

Pharmaceutical products: