Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01701"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,2-Dichloro-Propane"
|
| rdf:type | |
| drugbank:description |
"
78-87-5
experimental
This compound belongs to the polyamines. These are compounds containing more than one amine group.
Polyamines
Organic Compounds
Organonitrogen Compounds
Amines
Polyamines
Organochlorides
Alkyl Chlorides
organochloride
organohalogen
alkyl halide
alkyl chloride
logP
2.13
ALOGPS
logS
-1.7
ALOGPS
Water Solubility
2.11e+00 g/l
ALOGPS
logP
1.92
ChemAxon
IUPAC Name
(2R)-1,2-dichloropropane
ChemAxon
Traditional IUPAC Name
1,2-dichloro-propane
ChemAxon
Molecular Weight
112.986
ChemAxon
Monoisotopic Weight
111.984655606
ChemAxon
SMILES
C[C@@H](Cl)CCl
ChemAxon
Molecular Formula
C3H6Cl2
ChemAxon
InChI
InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m1/s1
ChemAxon
InChIKey
InChIKey=KNKRKFALVUDBJE-GSVOUGTGSA-N
ChemAxon
Polar Surface Area (PSA)
0
ChemAxon
Refractivity
25.07
ChemAxon
Polarizability
10.3
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
0
ChemAxon
H Bond Donor Count
0
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Water Solubility
2800 mg/L (at 25 °C)
HORVATH,AL (1982)
Melting Point
-100 °C
PhysProp
Boiling Point
95.5 °C
PhysProp
logP
1.98
SANGSTER (1994)
PubChem Compound
445768
PubChem Substance
46508690
ChemSpider
6316
PDB
CP2
BE0001234
Haloalkane dehalogenase
Pseudomonas paucimobilis
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
Haloalkane dehalogenase
Involved in haloalkane dehalogenase activity
Catalyzes hydrolytic cleavage of carbon-halogen bonds in halogenated aliphatic compounds, leading to the formation of the corresponding primary alcohols, halide ions and protons. Has a broad substrate specificity since not only monochloroalkanes (C3 to C10) but also dichloroalkanes (> C3), bromoalkanes, and chlorinated aliphatic alcohols were good substrates. Shows almost no activity with 1,2-dichloroethane, but very high activity with the brominated analog. Is involved in the degradation of the important environmental pollutant gamma-hexachlorocyclohexane (lindane) as it also catalyzes conversion of 1,3,4,6-tetrachloro- 1,4-cyclohexadiene (1,4-TCDN) to 2,5-dichloro-2,5-cyclohexadiene- 1,4-diol (2,5-DDOL) via the intermediate 2,4,5-trichloro-2,5- cyclohexadiene-1-ol (2,4,5-DNOL)
linB
Periplasm
None
4.8
33108.0
Pseudomonas paucimobilis
GenBank Gene Database
D14594
GenBank Protein Database
4521186
UniProtKB
P51698
UniProt Accession
LINB_PSEPA
1,3,4,6-tetrachloro-1,4- cyclohexadiene hydrolase
1,4-TCDN chlorohydrolase
EC 3.8.1.5
>Haloalkane dehalogenase
MSLGAKPFGEKKFIEIKGRRMAYIDEGTGDPILFQHGNPTSSYLWRNIMPHCAGLGRLIA
CDLIGMGDSDKLDPSGPERYAYAEHRDYLDALWEALDLGDRVVLVVHDWGSALGFDWARR
HRERVQGIAYMEAIAMPIEWADFPEQDRDLFQAFRSQAGEELVLQDNVFVEQVLPGLILR
PLSEAEMAAYREPFLAAGEARRPTLSWPRQIPIAGTPADVVAIARDYAGWLSESPIPKLF
INAEPGALTTGRMRDFCRTWPNQTEITVAGAHFIQEDSPDEIGAAIAAFVRRLRPA
>891 bp
ATGAGCCTCGGCGCAAAGCCATTTGGCGAGAAGAAATTCATTGAGATCAAGGGCCGGCGC
ATGGCCTATATCGATGAAGGGACCGGCGATCCGATCCTCTTCCAGCACGGCAATCCGACG
TCGTCCTATCTGTGGCGCAATATCATGCCGCATTGCGCCGGGCTGGGACGGCTGATCGCC
TGTGACCTGATCGGCATGGGCGATTCGGACAAGCTCGATCCGTCGGGGCCCGAGCGTTAT
GCCTATGCCGAGCATCGTGACTATCTCGACGCGCTGTGGGAGGCGCTCGATCTCGGGGAC
AGGGTTGTTCTGGTCGTGCATGACTGGGGGTCCGCCCTCGGCTTCGACTGGGCCCGCCGC
CACCGCGAGCGTGTACAGGGGATTGCCTATATGGAAGCGATCGCCATGCCGATCGAATGG
GCGGATTTTCCCGAACAGGATCGCGATCTGTTTCAGGCCTTTCGCTCGCAGGCGGGCGAA
GAATTGGTGTTGCAGGACAATGTTTTTGTCGAACAAGTTCTCCCCGGATTGATCCTGCGC
CCCTTAAGCGAAGCGGAGATGGCCGCCTATCGCGAGCCCTTCCTCGCCGCCGGCGAAGCC
CGTCGACCGACCCTGTCTTGGCCTCGCCAAATCCCGATCGCAGGCACCCCGGCCGACGTG
GTCGCGATCGCCCGGGACTATGCCGGCTGGCTCAGCGAAAGCCCGATTCCGAAACTCTTC
ATCAACGCCGAGCCGGGAGCCCTGACCACGGGCCGAATGCGCGACTTCTGCCGCACATGG
CCAAACCAGACCGAAATCACGGTCGCAGGCGCCCATTTCATCCAGGAGGACAGTCCGGAC
GAGATTGGCGCGGCGATTGCGGCGTTTGTCCGGCGATTGCGCCCAGCATAA
PF00561
Abhydrolase_1
function
catalytic activity
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object