Details of the Drug

General Information of Drug (ID: DMWE6V1)

Drug Name
Putrescine
Synonyms
putrescine; 1,4-diaminobutane; 1,4-butanediamine; butane-1,4-diamine; 110-60-1; tetramethylenediamine; Butylenediamine; Putrescin; 1,4-Butylenediamine; Tetramethyldiamine; 1,4-Tetramethylenediamine; putrescina; Putreszin; Tetramethylendiamin; UNII-V10TVZ52E4; NSC 60545; BRN 0605282; H2N(CH2)4NH2; CCRIS 6751; AI3-25444; 1,4-Diamino-n-butane; EINECS 203-782-3; 1,4-Diaminobutane, 99%; CHEMBL46257; V10TVZ52E4; CHEBI:17148; KIDHWZJUCRJVML-UHFFFAOYSA-N; MFCD00008235; 1,4-butanediammonium; Diaminobutane dihydrochloride; PUT; HSDB 7865
Indication
Disease Entry ICD 11 Status REF
Burn and burn infection ND90-NE2Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 88.15
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C4H12N2
IUPAC Name
butane-1,4-diamine
Canonical SMILES
C(CCN)CN
InChI
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
InChIKey
KIDHWZJUCRJVML-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1045
ChEBI ID
CHEMBL17148
CAS Number
110-60-1
UNII
V10TVZ52E4
DrugBank ID
DB01917
TTD ID
D00FMV
INTEDE ID
DR1790
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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 Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ornithine decarboxylase (ODC1) TTUMGNO DCOR_HUMAN Inhibitor [2]
S-adenosylmethionine decarboxylase proenzyme (AMD1) TTBFROQ DCAM_HUMAN Inhibitor [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Amiloride-sensitive amine oxidase (AOC1)
Main DME 		DETECWH AOC1_HUMAN Substrate [3]
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Molecular Expression Atlas of This Drug

The Studied Disease Burn and burn infection
ICD Disease Classification ND90-NE2Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Ornithine decarboxylase (ODC1) DTT ODC1 5.20E-35 1.58 2.43
S-adenosylmethionine decarboxylase proenzyme (AMD1) DTT AMD1 4.41E-05 0.37 0.61
Amiloride-sensitive amine oxidase (AOC1) DME AOC1 1.79E-14 6.00E-01 1.28E+00
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2388).
2 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
3 Putrescine metabolism and the study of diamine oxidase activity in vivo. Agents Actions. 1981 Apr;11(1-2):20-7.