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warfarin

Identification (Source:EPA,EU)

ID	1774
Name	warfarin
CAS	81-81-2
IUPAC
Inchi	InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
CIPAC	70
EPA Code	086002
Formula	C19H16O4
SMILES	O=C\1c3c(OC(/O)=C/1C(c2ccccc2)CC(=O)C)cccc3
Status	Approved

Classification

Mode of Action	1st generation anticoagulant
Pesticide Type	Rodenticide
Chemical Group	Coumarin anticoagulant
Classification	coumarin rodenticides

Properties (Source:PubChem)

Molecular Weight	308.33
Physical State	Colourless to white crystalline powder
AlogP	3.292
H-Bond Donor	1
H-Bond Acceptor	4
Surface Area	291.15
Polar Surface Area	63.6

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Algae	Acute	72 hour	EC50, growth	> 8.5 mg l-1
Algae	Chronic	96 hour	NOEC, growth	8.5 mg l-1
Aquatic invertebrates	Acute	48 hour	EC50	> 105 mg l-1
Birds	Short term dietary		LC50/LD50	4448 mg/kg feed
Birds	Acute		LD50	> 2000 mg kg-1
Fish	Chronic	21 day	NOEC	2.0 mg l-1
Fish	Acute	96 hour	LC50	65.0 mg l-1
Mammals	Acute oral		LD50	10.4 mg kg-1

Related targets

Target Name	RScore (About this table)
CYP2C9	5206(34,72,246,476)	Details
VKORC1	4191(23,51,258,476)	Details
CYP450 (protein family or complex)	1432(13,23,29,62)	Details
prothrombin	2346(12,42,85,271)	Details
albumin	472(5,6,8,32)	Details
osteocalcin	343(4,4,5,18)	Details
statins	461(3,8,15,36)	Details
protein Z	311(3,5,5,11)	Details
IL 6	245(3,3,3,5)	Details
CYP2C19	288(2,4,11,33)	Details
Gla domain	196(2,3,3,6)	Details
growth arrest specific protein 6	178(2,2,2,18)	Details
matrix Gla protein	169(2,2,2,9)	Details
Factor Xa	326(1,7,8,61)	Details
CYP3A4	212(1,4,7,27)	Details
GGCX	194(1,4,6,14)	Details
thromboplastin	174(1,3,4,29)	Details
factor VIIa	170(1,2,9,25)	Details
protein a	162(1,2,6,32)	Details
vitamin K epoxide reductase complex (protein family or complex)	144(1,2,7,9)	Details
hemoglobin (protein family or complex)	141(1,2,3,26)	Details
CYP1A2	134(1,2,4,14)	Details
alpha 1 acid glycoprotein	120(1,2,3,5)	Details
cancer procoagulant	114(1,2,2,4)	Details
GLUC	114(1,2,2,4)	Details
PF4	94(1,1,1,14)	Details
periostin	89(1,1,1,9)	Details
UGT1A1	89(1,1,2,4)	Details
FVIII	87(1,1,1,7)	Details
CYP2E1	86(1,1,1,6)	Details
CYP2C8	83(1,1,1,3)	Details
CYP1A1	82(1,1,1,2)	Details
p70	82(1,1,1,2)	Details
proton pump	289(0,9,9,19)	Details
cytochrome P450 4F2	283(0,5,23,43)	Details
apolipoprotein E	71(0,2,3,6)	Details
cyclooxygenase 2	62(0,2,2,2)	Details
CALU	59(0,1,5,9)	Details
CYP2D6	47(0,1,2,12)	Details
calcium channel (protein family or complex)	40(0,1,2,5)	Details
P glycoprotein	39(0,1,1,9)	Details
angiotensin II	36(0,1,1,6)	Details
interleukin 15	36(0,1,1,6)	Details
CD34	35(0,1,1,5)	Details
NK 1 receptor	32(0,1,1,2)	Details
prostaglandin D2 receptor	32(0,1,1,2)	Details
CD56	32(0,1,1,2)	Details
BP 1	32(0,1,1,2)	Details
cytochrome c	31(0,1,1,1)	Details
sulfotransferases (protein family or complex)	31(0,1,1,1)	Details
STAT5	31(0,1,1,1)	Details
EPHX1	32(0,0,5,7)	Details
WICH	30(0,0,4,10)	Details
tissue plasminogen activator	27(0,0,3,12)	Details

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