Details of the Drug

General Information of Drug (ID: DMQ9USH)

Drug Name
Propandiamine
Synonyms
1,3-Diaminopropane; Propane-1,3-diamine; Trimethylenediamine; XFNJVJPLKCPIBV-UHFFFAOYSA-N; aminopropylamine; 1,3-Propane-diamine; 1,3-Propanediamine; 1,3-Propylenediamine; 1,3-diaminepropane; 1,3-diaminopropan; 1,3-diaminopropane; 1,3-propandiamine; 1,3-propane diamine; 1,3diaminopropane; 1.3-diaminopropane; 109-76-2; 3-Aminopropylamine; AI3-25358; BRN 0605277; C00986; CB3ISL56KG; CCRIS 4054; CHEBI:15725; EINECS 203-702-7; EINECS 268-600-7; H2N(CH2)3NH2; MFCD00008228; NSC 8154; UNII-CB3ISL56KG; a,w-Propanediamine; alpha,omega-Propanediamine
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 74.13
Logarithm of the Partition Coefficient (xlogp) -1.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C3H10N2
IUPAC Name
propane-1,3-diamine
Canonical SMILES
C(CN)CN
InChI
InChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
428
ChEBI ID
CHEMBL35411
CAS Number
109-76-2
INTEDE ID
DR2028
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Putrescine acetyltransferase (SSAT1)
Main DME 		DEMWO83 SAT1_HUMAN Substrate [1]
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References

1 Mechanistic and structural analysis of human spermidine/spermine N1-acetyltransferase. Biochemistry. 2007 Jun 19;46(24):7187-95.