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]
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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: CHEBI:28878
CAS Number: 112-53-8
DrugBank ID: DB06894
TTD ID: D0L1YC

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cyclic AMP-dependent transcription factor ATF-3 (ATF3)	OTC1UOHP	ATF3_HUMAN	Gene/Protein Processing	[2]
DnaJ homolog subfamily B member 4 (DNAJB4)	OTUD01BK	DNJB4_HUMAN	Gene/Protein Processing	[2]
Glutamate--cysteine ligase regulatory subunit (GCLM)	OT6CP234	GSH0_HUMAN	Gene/Protein Processing	[2]
Interleukin-8 (CXCL8)	OTS7T5VH	IL8_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.