Details of the Drug

General Information of Drug (ID: DMSJ2I6)

Drug Name
Beta-aminopropionitrile
Synonyms
3-aminopropionitrile; 3-Aminopropanenitrile; 151-18-8; 2-Cyanoethylamine; Aminopropionitrile; BETA-AMINOPROPIONITRILE; Propanenitrile, 3-amino-; BAPN; 3-Aminopropiononitrile; beta-Cyanoethylamine; beta-Alaninenitrile; Propionitrile, 3-amino-; beta-Aminoethyl cyanide; beta-Alaminenitrile; UNII-38D5LJ4KH2; NSC 40641; 3-amino-propionitrile; beta-Alaninenitrile; CHEBI:27413; beta-Cyanoethylamine; beta-Aminopropionitrile; H2NCH2CH2CN; MFCD00014820; 38D5LJ4KH2; CHEMBL1618272; 3-Aminopropionitrile, 98%, stabilized; 3-Aminopropionitrile; Aminopropionitrile; BAPN; N-(2-Cyanoethyl)amine; NSC 40641; HSDB 2897; EINECS 205-786-0; BRN 1698848; cyanoethylamine; aminoethylcyanide; b-Alaminenitrile; b-Alaninenitrile; CCRIS 8134; b-Cyanoethylamine; 3-Aminopropanitrile; EINECS 268-598-8; b-Aminoethyl cyanide; 3-aminopropanonitrile; Propanenitrile, 3-amino-, N-C11-13-isoalkyl derivs.; n-(2-cyanoethyl)amine; PubChem19134; beta-amino propionitrile; beta-amino-propionitrile; (C12-C18)Alkyl alkoxyethyleneaminonitrile; Lopac-A-3134; beta-Aminoethyl cyanide; (C11-C13)Branched alkyl aminoethylenenitrile; WLN: Z2CN; ACMC-1B8B9; Lopac0_000055; 68130-65-4; 68130-66-5; C(#N)CC[N]; DTXSID6048418; AGSPXMVUFBBBMO-UHFFFAOYSA-; 3-amino-propionitrile, AldrichCPR; SODIUMBITARTRATE,MONOHYDRATE; CS-D1507; HY-Y1750; NSC40641; STR02529; ZINC1530259; ANW-43145; BBL101609; BDBM50232678; NSC-40641; Propanenitrile, 3-amino-, N-(3-(C12-18-alkyloxy)propyl) derivs.; STL555405; AKOS000121388; NCGC00015048-01; NCGC00015048-02; NCGC00015048-03; NCGC00015048-05; NCGC00162054-01; 3-Aminopropionitrile stabilized with K2CO3; A0408; FT-0615060; C05670; 97104-EP2298731A1; 97104-EP2305660A1; Q3614347; W-109080
Indication
Disease Entry ICD 11 Status REF
Cardiac arrest MC82 Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 70.09
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C3H6N2
IUPAC Name
3-aminopropanenitrile
Canonical SMILES
C(CN)C#N
InChI
InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
InChIKey
AGSPXMVUFBBBMO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1647
ChEBI ID
CHEMBL27413
CAS Number
151-18-8
TTD ID
D7ZXE5
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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
Lysyl oxidase homolog 2 (LOXL2) TTFSUHX LOXL2_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Protein-lysine 6-oxidase (LOX) OT1C2HIU LYOX_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs and Targets in Fibrosis. Front Pharmacol. 2017 Nov 23;8:855.
2 Wnt signaling and Loxl2 promote aggressive osteosarcoma. Cell Res. 2020 Oct;30(10):885-901.
3 Abnormal deposition of collagen around hepatocytes in Wilson's disease is associated with hepatocyte specific expression of lysyl oxidase and lysyl oxidase like protein-2. J Hepatol. 2005 Sep;43(3):499-507. doi: 10.1016/j.jhep.2005.02.052.