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diphenylamine

Identification (Source:EPA,EU)

ID	513
Name	diphenylamine
CAS	122-39-4
IUPAC	diphenylamine
Inchi	InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
CIPAC	460
EPA Code	038501
Formula	C12H11N
SMILES	c1(Nc2ccccc2)ccccc1
Status	Not Approved

Classification

Mode of Action	An inhibitor of polyene and isoprene biosynthesis
Pesticide Type	Fungicide, Insecticide, Plant growth regulator
Chemical Group	Amine
Classification	bridged diphenyl fungicides

Properties (Source:PubChem)

Molecular Weight	169.23
Physical State	White to tan coloured crystalline powder
AlogP	3.38
H-Bond Donor	1
H-Bond Acceptor	1
Surface Area	165.54
Polar Surface Area	12.03

Structure

Ecotoxicology (Source:PPDB,IPM)

Species	Method	Study Time	Dose Type	Value
Algae	Acute	72 hour	EC50, growth	0.30 mg l-1
Algae	Chronic	96 hour	NOEC, growth	0.04 mg l-1
Aquatic invertebrates	Acute	48 hour	EC50	1.2 mg l-1
Aquatic invertebrates	Chronic	21 day	NOEC	> 0.38 mg l-1
Birds	Acute		LD50	> 2250 mg kg-1
Fish	Chronic	21 day	NOEC	0.71 mg l-1
Fish	Acute	96 hour	LC50	2.2 mg l-1
Mammals	Acute oral		LD50	> 15000 mg kg-1

Related targets

Target Name	RScore (About this table)
CFTR	2032(16,29,31,352)	Details
NPPB	1329(11,23,27,69)	Details
cAMP dependent protein kinase (protein family or complex)	361(3,6,6,31)	Details
L selectin	207(2,3,5,7)	Details
caspase 3	204(2,3,3,14)	Details
RXR (protein family or complex)	163(2,2,2,3)	Details
estrogen receptor	162(2,2,2,2)	Details
chloride channel (protein family or complex)	1184(1,35,36,79)	Details
carbonic anhydrase	179(1,4,4,9)	Details
ATPase	147(1,2,2,37)	Details
alkaline phosphatase	116(1,2,2,6)	Details
ClC 2	92(1,1,1,12)	Details
lysozyme	90(1,1,1,10)	Details
PACAP	90(1,1,1,10)	Details
SLC26A7	89(1,1,1,9)	Details
albumin	88(1,1,1,8)	Details
NA K ATPase	87(1,1,1,7)	Details
cytochrome bc1	86(1,1,1,6)	Details
MT3	81(1,1,1,1)	Details
OTf 2	81(1,1,1,1)	Details
annexin V	93(0,3,3,3)	Details
c reactive protein	92(0,2,7,7)	Details
adenylate cyclase	80(0,2,2,20)	Details
caspase (protein family or complex)	66(0,2,2,6)	Details
thyroid hormone receptor (protein family or complex)	62(0,2,2,2)	Details
cytochrome P450 (protein family or complex)	44(0,1,1,14)	Details
calmodulin	43(0,1,1,13)	Details
pituitary adenylate cyclase activating polypeptide	41(0,1,1,11)	Details
Atrial natriuretic factor	40(0,1,1,10)	Details
NKCC1	39(0,1,1,9)	Details
CD4	38(0,1,1,8)	Details
aquaporin 3	38(0,1,1,8)	Details
immunoglobulin (protein family or complex)	37(0,1,2,2)	Details
terminal deoxynucleotidyltransferase	37(0,1,2,2)	Details
UGT1A3	37(0,1,1,7)	Details
LH1	36(0,1,1,6)	Details
gamma cystathionase	35(0,1,1,5)	Details
lactate dehydrogenase (protein family or complex)	35(0,1,1,5)	Details
CD8	35(0,1,1,5)	Details
CD27	35(0,1,1,5)	Details
calpain inhibitor	34(0,1,1,4)	Details
IL 4	34(0,1,1,4)	Details
Lipoxygenase (protein family or complex)	34(0,1,1,4)	Details
G protein	34(0,1,1,4)	Details
phospholipase A2	33(0,1,1,3)	Details
catalase	33(0,1,1,3)	Details
polyamine oxidase	33(0,1,1,3)	Details
Potassium channel (protein family or complex)	33(0,1,1,3)	Details
interferon gamma	33(0,1,1,3)	Details
C10	33(0,1,1,3)	Details
sphingomyelinase	33(0,1,1,3)	Details
dihydrofolate reductase	33(0,1,1,3)	Details
ZO 1	33(0,1,1,3)	Details
ZO 2	33(0,1,1,3)	Details
squalene synthase	32(0,1,1,2)	Details
KCNQ1	32(0,1,1,2)	Details
CD25	32(0,1,1,2)	Details
lactate dehydrogenase C	31(0,1,1,1)	Details
BRAF	22(0,0,0,22)	Details
bcl 2	21(0,0,0,21)	Details
calcitonin gene related peptide	19(0,0,0,19)	Details
mitogen activated protein kinase (protein family or complex)	15(0,0,0,15)	Details
protein kinase C (protein family or complex)	14(0,0,0,14)	Details
APRIL	13(0,0,0,13)	Details
angiotensin II	12(0,0,0,12)	Details
LH2	11(0,0,0,11)	Details
B cell activating factor	11(0,0,0,11)	Details
Substance P	10(0,0,0,10)	Details
dopamine transporter	9(0,0,0,9)	Details
cytochrome c	9(0,0,0,9)	Details
PI3K	8(0,0,0,8)	Details
phosphodiesterase	8(0,0,0,8)	Details
beta adrenergic receptors (protein family or complex)	8(0,0,0,8)	Details
complex is	8(0,0,0,8)	Details
RR2	8(0,0,1,3)	Details
C18	7(0,0,1,2)	Details
methemoglobin	7(0,0,0,7)	Details
hemoglobin (protein family or complex)	7(0,0,0,7)	Details
Calpains (protein family or complex)	6(0,0,0,6)	Details
basic fibroblast growth factor	6(0,0,0,6)	Details
P2X7	6(0,0,0,6)	Details
sodium channel (protein family or complex)	6(0,0,0,6)	Details
bradykinin	6(0,0,0,6)	Details
endothelin 1	6(0,0,0,6)	Details
pseudocholinesterase	6(0,0,1,1)	Details

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