Details of the Drug

General Information of Drug (ID: DMHM5GJ)

Drug Name
2-Methyl-2-Propanol
Synonyms
tert-Butanol; tert-Butyl alcohol; 2-Methyl-2-propanol; 2-Methylpropan-2-ol; 75-65-0; t-Butanol; t-Butyl hydroxide; 1,1-Dimethylethanol; Trimethylcarbinol; Trimethyl methanol; 2-Propanol, 2-methyl-; Tertiary-Butyl Alcohol; T-BUTYL ALCOHOL; Trimethylmethanol; tert-butylalcohol; Butanol tertiaire; Trimethyl carbinol; Dimethylethanol; tertiary-Butanol; Alcool butylique tertiaire; Methanol, trimethyl-; Arconol; tertiary Butyl Alcohol; tert.-butanol; tert- butyl alcohol; Caswell No. 124A; t-butylalcohol; tertiary butanol; NCI-C55367; tBuOH
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): 0 Molecular Weight (mw) 74.12
Logarithm of the Partition Coefficient (xlogp) 0.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C4H10O
IUPAC Name
2-methylpropan-2-ol
Canonical SMILES
CC(C)(C)O
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6386
ChEBI ID
CHEMBL45895
CAS Number
75-65-0
UNII
MD83SFE959
DrugBank ID
DB03900
TTD ID
D0Q7LD
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
Calmodulin (CALM) TTV3NH6 CALM1_HUMAN ; CALM2_HUMAN ; CALM3_HUMAN Inhibitor [1]
Methionine aminopeptidase 2 (METAP2) TTZL0OI MAP2_HUMAN Inhibitor [1]
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
Calmodulin (CALM) DTT CALM 6.44E-01 0.09 0.15
Calmodulin (CALM) DTT CALM 5.89E-01 -3.28E-04 -1.09E-03
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.