Details of the Drug

General Information of Drug (ID: DM9HZ8D)

Drug Name
AR-C-89855
Synonyms AR-C68164AA; AR-C68475AA; AR-C69457AA; AR-C89855AA
Indication
Disease Entry ICD 11 Status REF
Chronic obstructive pulmonary disease CA22 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 493.6
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C23H31N3O5S2
IUPAC Name
3-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]-N-[2-[2-(4-methylphenyl)ethoxy]ethyl]propane-1-sulfonamide
Canonical SMILES
CC1=CC=C(C=C1)CCOCCNS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3
InChI
InChI=1S/C23H31N3O5S2/c1-17-3-5-18(6-4-17)10-14-31-15-13-25-33(29,30)16-2-11-24-12-9-19-7-8-20(27)21-22(19)32-23(28)26-21/h3-8,24-25,27H,2,9-16H2,1H3,(H,26,28)
InChIKey
FIDWUJWRKJJJLL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10206844
CAS Number
189012-09-7
TTD ID
D0F6AB
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
Adrenergic receptor beta-2 (ADRB2) TT2CJVK ADRB2_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 12 Disease of the respiratory system
Disease Class ICD-11: CA23 Asthma
The Studied Tissue Lung tissue
The Studied Disease Chronic obstructive pulmonary disease [ICD-11:CA23]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Adrenergic receptor beta-2 (ADRB2) DTT ADRB2 4.88E-01 -0.05 -0.12
Adrenergic receptor beta-2 (ADRB2) DTT ADRB2 7.10E-01 0.06 0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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 800013263)
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013263)