Details of the Drug

General Information of Drug (ID: DMY3M0J)

Drug Name
DAT-582
Synonyms AS-5820
Indication
Disease Entry ICD 11 Status REF
Nausea MD90 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 450.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C22H29Cl2N5O
IUPAC Name
N-[(6R)-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide;dihydrochloride
Canonical SMILES
CC1=CC(=CC=C1)CN2CCN(C[C@H](C2)NC(=O)C3=NNC4=CC=CC=C43)C.Cl.Cl
InChI
InChI=1S/C22H27N5O.2ClH/c1-16-6-5-7-17(12-16)13-27-11-10-26(2)14-18(15-27)23-22(28)21-19-8-3-4-9-20(19)24-25-21;;/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,23,28)(H,24,25);2*1H/t18-;;/m1../s1
InChIKey
BDHAPQXDDJQQBI-JPKZNVRTSA-N
Cross-matching ID
PubChem CID
132326
CAS Number
141034-42-6
TTD ID
D0SB6K

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001226)
2 5-HT3 receptor antagonist effects of DAT-582, (R) enantiomer of AS-5370. Eur J Pharmacol. 1992 Jun 17;216(3):435-40.