Details of the Drug

General Information of Drug (ID: DM7P3N5)

Drug Name
1-DODECANOL
Synonyms
1-DODECANOL; Dodecyl alcohol; Dodecan-1-ol; Lauryl alcohol; Dodecanol; 112-53-8; n-Dodecyl alcohol; Lauric alcohol; Laurinic alcohol; Undecyl carbinol; Dodecylalcohol; Pisol; 1-Dodecyl alcohol; n-Dodecan-1-ol; Duodecyl alcohol; 1-Hydroxydodecane; Siponol L5; Karukoru 20; Siponol 25; Lorol 7; Lorol 5; n-Dodecanol; Lauryl 24; Alcohol C-12; Sipol L12; Lorol 11; Alfol 12; Siponol L2; Dytol J-68; Cachalot L-50; Cachalot L-90; Lauroyl alcohol; n-Lauryl alcohol; C12 alcohol; Hainol 12SS; Hydroxydodecane; Conol 20P; Lorol; Conol 20PP; Dodecyl alcoho
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 186.33
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C12H26O
IUPAC Name
dodecan-1-ol
Canonical SMILES
CCCCCCCCCCCCO
InChI
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey
LQZZUXJYWNFBMV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
8193
ChEBI ID
CHEMBL28878
CAS Number
112-53-8
UNII
178A96NLP2
DrugBank ID
DB06894
TTD ID
D0L1YC
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
DnaJ homolog subfamily B member 4 (DNAJB4) OTUD01BK DNJB4_HUMAN Gene/Protein Processing [2]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Gene/Protein Processing [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Fatty acid amide hydrolase (FAAH) DTT NO-GeName 2.65E-01 0.02 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2 An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens. Toxicol In Vitro. 2017 Apr;40:11-25. doi: 10.1016/j.tiv.2016.12.005. Epub 2016 Dec 10.