Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07406"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
Beta Carbolines
Organic Compounds
Heterocyclic Compounds
Indoles and Derivatives
Pyridoindoles
Indolecarboxamides and Derivatives
Benzamides
Indoles
Thiazolecarboxamides
Benzoyl Derivatives
2,4-disubstituted Thiazoles
Aminothiazoles
Pyrroles
Tertiary Amines
Secondary Carboxylic Acid Amides
Carboxylic Acids
Enolates
Polyamines
benzamide
indole
benzoyl
thiazolecarboxamide
thiazolecarboxylic acid or derivative
2,4-disubstituted 1,3-thiazole
1,3-thiazolamine
benzene
pyrrole
azole
thiazole
tertiary amine
carboxamide group
secondary carboxylic acid amide
polyamine
enolate
carboxylic acid derivative
carboxylic acid
amine
organonitrogen compound
logP
1.87
ALOGPS
logS
-4.7
ALOGPS
Water Solubility
9.61e-03 g/l
ALOGPS
logP
1.08
ChemAxon
IUPAC Name
4-N-[2-(dimethylamino)ethyl]-2-C-(4R)-4-methyl-1-oxo-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-6-1,3-thiazole-2,4-diamido
ChemAxon
Traditional IUPAC Name
4-N-[2-(dimethylamino)ethyl]-2-C-(4R)-4-methyl-1-oxo-2H,3H,4H,9H-pyrido[3,4-b]indole-6-1,3-thiazole-2,4-diamido
ChemAxon
Molecular Weight
440.519
ChemAxon
Monoisotopic Weight
440.163059354
ChemAxon
SMILES
[H][C@]1(C)CNC(=O)C2=C1C1=CC(=CC=C1N2)C(=O)NC1=NC(=CS1)C(=O)NCCN(C)C
ChemAxon
Molecular Formula
C21H24N6O3S
ChemAxon
InChI
InChI=1S/C21H24N6O3S/c1-11-9-23-20(30)17-16(11)13-8-12(4-5-14(13)24-17)18(28)26-21-25-15(10-31-21)19(29)22-6-7-27(2)3/h4-5,8,10-11,24H,6-7,9H2,1-3H3,(H,22,29)(H,23,30)(H,25,26,28)/t11-/m0/s1
ChemAxon
InChIKey
InChIKey=QWFFPYQWUWLDBV-NSHDSACASA-N
ChemAxon
Polar Surface Area (PSA)
119.22
ChemAxon
Refractivity
120.62
ChemAxon
Polarizability
47.61
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
9.31
ChemAxon
pKa (strongest basic)
8.43
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
16741237
PubChem Substance
99443877
ChemSpider
20572544
PDB
B18
BE0001373
MAP kinase-activated protein kinase 2
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
MAP kinase-activated protein kinase 2
Involved in protein kinase activity
Its physiological substrate seems to be the small heat shock protein (HSP27/HSP25). In vitro can phosphorylate glycogen synthase at 'Ser-7' and tyrosine hydroxylase (on 'Ser-19' and 'Ser-40'). This kinase phosphorylates Ser in the peptide sequence, Hyd-X-R-X(2)-S, where Hyd is a large hydrophobic residue. Mediates both ERK and p38 MAPK/MAPK14 dependent neutrophil responses. Participates in TNF alpha-stimulated exocytosis of secretory vesicles in neutrophils. Plays a role in phagocytosis-induced respiratory burst activity
MAPKAPK2
1q32
None
8.92
45568.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6887
GenAtlas
MAPKAPK2
GeneCards
MAPKAPK2
GenBank Gene Database
U12779
GenBank Protein Database
530090
UniProtKB
P49137
UniProt Accession
MAPK2_HUMAN
EC 2.7.11.1
MAPK-activated protein kinase 2
MAPKAP kinase 2
MAPKAPK-2
MK2
>MAP kinase-activated protein kinase 2
MLSNSQGQSPPVPFPAPAPPPQPPTPALPHPPAQPPPPPPQQFPQFHVKSGLQIKKNAII
DDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQDCPKARREVELHWRASQCPHIVRI
VDVYENLYAGRKCLLIVMECLDGGELFSRIQDRGDQAFTEREASEIMKSIGEAIQYLHSI
NIAHRDVKPENLLYTSKRPNAILKLTDFGFAKETTSHNSLTTPCYTPYYVAPEVLGPEKY
DKSCDMWSLGVIMYILLCGYPPFYSNHGLAISPGMKTRIRMGQYEFPNPEWSEVSEEVKM
LIRNLLKTEPTQRMTITEFMNHPWIMQSTKVPQTPLHTSRVLKEDKERWEDVKEEMTSAL
ATMRVDYEQIKIKKIEDASNPLLLKRRKKARALEAAALAH
>1113 bp
ATGCTGTCCAACTCCCAGGGCCAGAGCCCGCCGGTGCCGTTCCCCGCCCCGGCCCCGCCG
CCGCAGCCCCCCACCCCTGCCCTGCCGCACCCCCCGGCGCAGCCGCCGCCGCCGCCCCCG
CAGCAGTTCCCGCAGTTCCACGTCAAGTCCGGCCTGCAGATCAAGAAGAACGCCATCATC
GATGACTACAAGGTCACCAGCCAGGTCCTGGGGCTGGGCATCAACGGCAAAGTTTTGCAG
ATCTTCAACAAGAGGACCCAGGAGAAATTCGCCCTCAAAATGCTTCAGGACTGCCCCAAG
GCCCGCAGGGAGGTGGAGCTGCACTGGCGGGCCTCCCAGTGCCCGCACATCGTACGGATC
GTGGATGTGTACGAGAATCTGTACGCAGGGAGGAAGTGCCTGCTGATTGTCATGGAATGT
TTGGACGGTGGAGAACTCTTTAGCCGAATCCAGGATCGAGGAGACCAGGCATTCACAGAA
AGAGAAGCATCCGAAATCATGAAGAGCATCGGTGAGGCCATCCAGTATCTGCATTCAATC
AACATTGCCCATCGGGATGTCAAGCCTGAGAATCTCTTATACACCTCCAAAAGGCCCAAC
GCCATCCTGAAACTCACTGACTTTGGCTTTGCCAAGGAAACCACCAGCCACAACTCTTTG
ACCACTCCTTGTTATACACCGTACTATGTGGCTCCAGAAGTGCTGGGTCCAGAGAAGTAT
GACAAGTCCTGTGACATGTGGTCCCTGGGTGTCATCATGTACATCCTGCTGTGTGGGTAT
CCCCCCTTCTACTCCAACCACGGCCTTGCCATCTCTCCGGGCATGAAGACTCGCATCCGA
ATGGGCCAGTATGAATTTCCCAACCCAGAATGGTCAGAAGTATCAGAGGAAGTGAAGATG
CTCATTCGGAATCTGCTGAAAACAGAGCCCACCCAGAGAATGACCATCACCGAGTTTATG
AACCACCCTTGGATCATGCAATCAACAAAGGTCCCTCAAACCCCACTGCACACCAGCCGG
GTCCTGAAGGAGGACAAGGAGCGGTGGGAGGATGTCAAGGGGTGTCTTCATGACAAGAAC
AGCGACCAGGCCACTTGGCTGACCAGGTTGTGA
PF00069
Pkinase
function
catalytic activity
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
function
protein kinase activity
function
protein serine/threonine kinase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
binding
function
transferase activity
function
ATP binding
process
metabolism
process
macromolecule metabolism
process
biopolymer metabolism
process
protein amino acid phosphorylation
process
biopolymer modification
process
protein modification
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object