Details of the Drug

General Information of Drug (ID: DM6HI8W)

Drug Name
trans-3-ACPBPA
Synonyms trans-3-ACPBPA; SCHEMBL4586130; GTPL4099; [(1R,3R)-3-aminocyclopentyl](butyl)phosphinic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 205.23
Logarithm of the Partition Coefficient (xlogp) -2.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C9H20NO2P
IUPAC Name
[(1R,3R)-3-aminocyclopentyl]-butylphosphinic acid
Canonical SMILES
CCCCP(=O)([C@@H]1CC[C@H](C1)N)O
InChI
InChI=1S/C9H20NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h8-9H,2-7,10H2,1H3,(H,11,12)/t8-,9-/m1/s1
InChIKey
UQGQAMARAMOEID-RKDXNWHRSA-N
Cross-matching ID
PubChem CID
11629817
TTD ID
D0A6RM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA(A) receptor rho1 (GABRR1) TT6XFEU GBRR1_HUMAN Antagonist [2]
GABA(A) receptor rho2 (GABRR2) TTQMXLS GBRR2_HUMAN Antagonist [3]
GABA(A) receptor rho3 (GABRR3) TT4N6D8 GBRR3_HUMAN Antagonist [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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: 4099).
2 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. (Target id: 420).
3 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. (Target id: 421).
4 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. (Target id: 422).