Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06920"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.
Alpha Amino Acid Amides
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Anilides
Pyrrolidinecarboxamides
Fluorobenzenes
Pyridinones
Chlorobenzenes
Dihydropyridines
Aryl Chlorides
Aryl Fluorides
Secondary Carboxylic Acid Amides
Tertiary Amines
Ethers
Polyamines
Enolates
Carboxylic Acids
Organochlorides
Organofluorides
acetanilide
pyrrolidine-1-carboxamide
pyrrolidine-2-carboxamide
pyrrolidine carboxylic acid or derivative
dihydropyridine
chlorobenzene
pyridinone
fluorobenzene
pyridine
aryl chloride
aryl fluoride
aryl halide
benzene
hydropyridine
pyrrolidine
secondary carboxylic acid amide
tertiary amine
carboxamide group
carboxylic acid
ether
polyamine
enolate
organohalogen
amine
organochloride
organofluoride
organonitrogen compound
logP
3.35
ALOGPS
logS
-4.8
ALOGPS
Water Solubility
7.17e-03 g/l
ALOGPS
logP
3.02
ChemAxon
IUPAC Name
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1,2-dihydropyridin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
ChemAxon
Traditional IUPAC Name
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
ChemAxon
Molecular Weight
484.907
ChemAxon
Monoisotopic Weight
484.131361124
ChemAxon
SMILES
[H][C@@]1(CN(C(=O)NC2=CC=C(Cl)C=C2)[C@]([H])(C1)C(=O)NC1=CC=C(C=C1F)N1C=CC=CC1=O)OC
ChemAxon
Molecular Formula
C24H22ClFN4O4
ChemAxon
InChI
InChI=1S/C24H22ClFN4O4/c1-34-18-13-21(30(14-18)24(33)27-16-7-5-15(25)6-8-16)23(32)28-20-10-9-17(12-19(20)26)29-11-3-2-4-22(29)31/h2-12,18,21H,13-14H2,1H3,(H,27,33)(H,28,32)/t18-,21-/m1/s1
ChemAxon
InChIKey
InChIKey=QQBKAVAGLMGMHI-WIYYLYMNSA-N
ChemAxon
Polar Surface Area (PSA)
90.98
ChemAxon
Refractivity
128.79
ChemAxon
Polarizability
47.29
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
11.46
ChemAxon
pKa (strongest basic)
-1.5
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
11634458
PubChem Substance
99443391
ChemSpider
9809202
PDB
230
BE0000216
Coagulation factor X
Human
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Coagulation factor X
Involved in calcium ion binding
Factor Xa is a vitamin K-dependent glycoprotein that converts prothrombin to thrombin in the presence of factor Va, calcium and phospholipid during blood clotting
F10
13q34
Cytoplasmic
7-26
5.74
54732.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:3528
GenAtlas
F10
GeneCards
F10
GenBank Gene Database
K03194
GenBank Protein Database
182841
UniProtKB
P00742
UniProt Accession
FA10_HUMAN
Coagulation factor X precursor
EC 3.4.21.6
Stuart factor
Stuart- Prower factor
>Coagulation factor X precursor
MGRPLHLVLLSASLAGLLLLGESLFIRREQANNILARVTRANSFLEEMKKGHLERECMEE
TCSYEEAREVFEDSDKTNEFWNKYKDGDQCETSPCQNQGKCKDGLGEYTCTCLEGFEGKN
CELFTRKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERR
KRSVAQATSSSGEAPDSITWKPYDAADLDPTENPFDLLDFNQTQPERGDNNLTRIVGGQE
CKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGE
AVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGI
VSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSG
GPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPE
VITSSPLK
>1433 bp
CCTCCCTGGCTGGCCTCCTGCTGCTCGGGGAAAGTCTGTTCATCCGCAGGGAGCAGGCCA
ACAACATCCTGGCGAGGGTCACGAGGGCCAATTCCTTTCTTGAAGAGATGAAGAAAGGAC
ACCTCGAAAGAGAGTGCATGGAAGAGACCTGCTCATACGAAGAGGCCCGCGAGGTCTTTG
AGGACAGCGACAAGACGAATGAATTCTGGAATAAATACAAAGATGGCGACCAGTGTGAGA
CCAGTCCTTGCCAGAACCAGGGCAAATGTAAAGACGGCCTCGGGGAATACACCTGCACCT
GTTTAGAAGGATTCGAAGGCAAAAACTGTGAATTATTCACACGGAAGCTCTGCAGCCTGG
ACAACGGGGACTGTGACCAGTTCTGCCACGAGGAACAGAACTCTGTGGTGTGCTCCTGCG
CCCGCGGGTACACCCTGGCTGACAACGGCAAGGCCTGCATTCCCACAGGGCCCTACCCCT
GTGGGAAACAGACCCTGGAACGCAGGAAGAGGTCAGTGGCCCAGGCCACCAGCAGCAGCG
GGGAGGCCCCTGACAGCATCACATGGAAGCCATATGATGCAGCCGACCTGGACCCCACCG
AGAACCCCTTCGACCTGCTTGACTTCAACCAGACGCAGCCTGAGAGGGGCGACAACAACC
TCACCAGGATCGTGGGAGGCCAGGAATGCAAGGACGGGGAGTGTCCCTGGCAGGCCCTGC
TCATCAATGAGGAAAACGAGGGTTTCTGTGGTGGAACTATTCTGAGCGAGTTCTACATCC
TAACGGCAGCCCACTGTCTCTACCAAGCCAAGAGATTCAAGGTGAGGGTAGGGGACCGGA
ACACGGAGCAGGAGGAGGGCGGTGAGGCGGTGCACGAGGTGGAGGTGGTCATCAAGCACA
ACCGGTTCACAAAGGAGACCTATGACTTCGACATCGCCGTGCTCCGGCTCAAGACCCCCA
TCACCTTCCGCATGAACGTGGCGCCTGCCTGCCTCCCCGAGCGTGACTGGGCCGAGTCCA
CGCTGATGACGCAGAAGACGGGGATTGTGAGCGGCTTCGGGCGCACCCACGAGAAGGGCC
GGCAGTCCACCAGGCTCAAGATGCTGGAGGTGCCCTACGTGGACCGCAACAGCTGCAAGC
TGTCCAGCAGCTTCATCATCACCCAGAACATGTTCTGTGCCGGCTACGACACCAAGCAGG
AGGATGCCTGCCAGGGGGACAGCGGGGGCCCGCACGTCACCCGCTTCAAGGACACCTACT
TCGTGACAGGCATCGTCAGCTGGGGAGAGAGCTGTGCCCGTAAGGGGAAGTACGGGATCT
ACACCAAGGTCACCGCCTTCCTCAAGTGGATCGACAGGTCCATGAAAACCAGGGGCTTGC
CCAAGGCCAAGAGCCATGCCCCGGAGGTCATAACGTCCTCTCCATTAAAGTGA
PF00008
EGF
PF00594
Gla
PF00089
Trypsin
component
extracellular region
function
calcium ion binding
function
hydrolase activity
function
peptidase activity
function
endopeptidase activity
function
ion binding
function
serine-type endopeptidase activity
function
cation binding
function
binding
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
proteolysis
process
protein metabolism
process
cellular protein metabolism
process
organismal physiological process
process
regulation of body fluids
process
physiological process
process
hemostasis
process
blood coagulation
"
|
| rdf:type | |
| rdfs:label |
"(2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object