Details of the Drug

General Information of Drug (ID: DMOKVAT)

Drug Name
Benzyl 4-aminobutyl(3-aminopropyl)carbamate
Synonyms
Benzyl 4-aminobutyl(3-aminopropyl)carbamate; CHEMBL418644; NSC685957; benzyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate; AC1L8YAY; SCHEMBL7535687; CTK8D1272; ZINC1650370; BDBM50184788; NSC-685957; NCI60_030939; benzyl(4-aminobutyl)(3-aminopropyl)carbamate; 3-Aminopropyl(4-aminobutyl)carbamic acid benzyl ester; (4-Amino-butyl)-(3-amino-propyl)-carbamic acid benzyl ester
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) 279.38
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H25N3O2
IUPAC Name
benzyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate
Canonical SMILES
C1=CC=C(C=C1)COC(=O)N(CCCCN)CCCN
InChI
InChI=1S/C15H25N3O2/c16-9-4-5-11-18(12-6-10-17)15(19)20-13-14-7-2-1-3-8-14/h1-3,7-8H,4-6,9-13,16-17H2
InChIKey
ADDDUQKJZAGBIG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
389610
TTD ID
D0U8ZQ
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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
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Inhibitor [1]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A) TTKJEMQ NMDE1_HUMAN Inhibitor [1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Polyamines and the NMDA receptor: modifying intrinsic activities with aromatic substituents. Bioorg Med Chem Lett. 2006 Jun 1;16(11):2837-41.