Details of the Drug

General Information of Drug (ID: DM4MXOB)

Drug Name
AMI-1
Synonyms AMI1; AMI 1
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 548.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 9
Chemical Identifiers
Formula
C21H14N2Na2O9S2
IUPAC Name
disodium;4-hydroxy-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]naphthalene-2-sulfonate
Canonical SMILES
C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=CC(=C4C=C3)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C21H16N2O9S2.2Na/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32;;/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
InChIKey
MOUNHKKCIGVIDI-UHFFFAOYSA-L
Cross-matching ID
PubChem CID
88489
ChEBI ID
CHEMBL3109656
CAS Number
20324-87-2
TTD ID
D09AFM
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
Protein arginine methyltransferase 1 (PRMT1) TTVOJAI ANM1_HUMAN Inhibitor [2]
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: 7028).
2 Small molecule regulators of protein arginine methyltransferases. J Biol Chem. 2004 Jun 4;279(23):23892-9.