Compound - Results

Methotrexate

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Information Structure
Name Methotrexate
Synonyms
4-Amino-10-methylfolic Acid
4-Amino-N(sup 10)-methylpteroylglutamic Acid
4-Aminomethylpteroylglutamic Acid
A-Methopterin
A-Methpterin
AI3-25299
Amethopterin L-
Antifolan
CCRIS 1109
CL-14377
DRG-0024
EINECS 200-413-8
EMT 25,299
Folex-Pfs
Hdmtx
HSDB 3123
Kyselina 4-amino-N(sup 10)-methylpteroylglutamova
Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)methylamino)benzoyl)-L-glutamova
L-(+)-N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)glutamic Acid
L-Glutamic Acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
Ledertrexate
Metatrexan
Methotrexat-Ebewe
Methotrexate
Methotrexate, L-
Methotrexatum
Methylaminopterinum
Metotressato
Metotrexato
Mexate
MTX
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamicacid
N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-(+)-glutamic Acid
N-(p-(((2,4-Diamino-6-pteridyl)methyl)methylamino)benzoyl)glutamic Acid
N-Bismethylpteroylglutamic Acid
NCI-C04671
NSC-740
R 9985
Rheumatrex
X 133
ATC L01BA01
M01CX01
L04AX03
CID 126941
CAS 000059052
Drugbank ID DB00563
TTD Drug ID DNC000414
SMILES CN(CC1=NC2=C(N=C1)N=C(N)N=C2N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Formula C20H22N8O5
Molweight 454.439
Atoms 34
LogP 1.8217
Rotatable Bonds 10
H-Bond Donors 0
H-Bond Acceptors 12
Phase2 interactions
NameReferences
MET 15737567,
16438485
NAT 6330298
SUL 17163485,
17276571
Transporter
AC-No.NameReferences
O15438Canalicular multispecific organic anion transporter 211581266
O15439ATP-binding cassette sub-family C member 418612080
P41440Folate transporter 1 7565626
P46721Solute carrier family 21 member 320644253
Q4U2R8PAH transporter15548848
Q8TCC7hOAT315548848
Q92887Multidrug resistance-associated protein 219067394
Q96J66ATP-binding cassette transporter sub-family C member 1120718756
Q96NT5Proton-coupled folate transporter19589233
Q99758ATP-binding cassette sub-family A member 316928819
Q9NPD5LST-211375950
Q9UNQ0CD33818006847
Q9Y694Solute carrier family 22 member 712605306
Q9Y6L6Solute carrier organic anion transporter family member 1B119022939
Extrarenal fraction 0.1
Elimination half-life 10.0h