Details of the Drug

General Information of Drug (ID: DM3LJK5)

Drug Name
DAA-1097
Synonyms DAA-1106
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 409.9
Logarithm of the Partition Coefficient (xlogp) 5.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C24H24ClNO3
IUPAC Name
N-(4-chloro-2-phenoxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
Canonical SMILES
CC(C)OC1=CC=CC=C1CN(C2=C(C=C(C=C2)Cl)OC3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3
InChIKey
CGUBOFYHGYNUDL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9844410
ChEBI ID
CHEMBL205767
CAS Number
220551-79-1
TTD ID
D0K5IQ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Translocator protein (TSPO) TTPTXIN TSPO_HUMAN Agonist [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 800012540)
2 Neuropharmacological profile of peripheral benzodiazepine receptor agonists, DAA1097 and DAA1106. Life Sci. 1999;64(16):1455-64.