Details of the Drug

General Information of Drug (ID: DML5O0H)

Drug Name
2-Propanol, Isopropanol
Synonyms
Isopropyl alcohol; isopropanol; 2-Propanol; Propan-2-ol; 67-63-0; 2-Hydroxypropane; Hartosol; Avantine; Alkolave; Dimethylcarbinol; sec-Propyl alcohol; Takineocol; Petrohol; Alcojel; Avantin; i-Propanol; 1-Methylethanol; 2-Propyl alcohol; Propol; Lutosol; Isohol; Alcolo; Lavacol; Alcosolve 2; Imsol A; 1-Methylethyl alcohol; Arquad DMCB; Alcosolve; Spectrar; n-Propan-2-ol; i-Propylalkohol; Combi-schutz; i-Propyl alcohol; Isopropyl alcohol, rubbing; Iso-propylalkohol; Alcool isopropilico; Visco 1152; Alcool isopropylique; Sterisol hand; Isopropyl Alcohol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 60.1
Topological Polar Surface Area (xlogp) 0.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C3H8O
IUPAC Name
propan-2-ol
Canonical SMILES
CC(C)O
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKey
KFZMGEQAYNKOFK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3776
ChEBI ID
CHEBI:17824
CAS Number
67-63-0
DrugBank ID
DB02325
TTD ID
D0W7LK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosylhomocysteinase (AHCY) TTE2KUJ SAHH_HUMAN Inhibitor [2]
Group IIA phospholipase A2 (GIIA sPLA2) TTO8QRU PA2GA_HUMAN Inhibitor [2]
GTP cyclohydrolase-I (GCH1) TTLSWP6 GCH1_HUMAN Inhibitor [2]
Heme oxygenase 1 (HMOX1) TTI6V2A HMOX1_HUMAN Inhibitor [1]
Nitric-oxide synthase endothelial (NOS3) TTCM4B3 NOS3_HUMAN Inhibitor [1]
Oxysterols receptor LXR-beta (NR1H2) TTXA6PH NR1H2_HUMAN Inhibitor [1]
Tumor necrosis factor (TNF) TTF8CQI TNFA_HUMAN Inhibitor [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
GTP cyclohydrolase-I (GCH1) DTT GCH1 3.38E-02 -1.59 -1.53
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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