Details of the Drug

General Information of Drug (ID: DMVO5DR)

Drug Name
CP-331684
Synonyms 2-[4-[2-[2(R)-(6-Amino-3-pyridinyl)-2-hydroxyethylamino]ethoxy]phenyl]acetic acid
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 331.4
Logarithm of the Partition Coefficient (xlogp) -1.9
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C17H21N3O4
IUPAC Name
2-[4-[2-[[(2R)-2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethoxy]phenyl]acetic acid
Canonical SMILES
C1=CC(=CC=C1CC(=O)O)OCCNC[C@@H](C2=CN=C(C=C2)N)O
InChI
InChI=1S/C17H21N3O4/c18-16-6-3-13(10-20-16)15(21)11-19-7-8-24-14-4-1-12(2-5-14)9-17(22)23/h1-6,10,15,19,21H,7-9,11H2,(H2,18,20)(H,22,23)/t15-/m0/s1
InChIKey
GZJZZQHTBTUBEL-HNNXBMFYSA-N
Cross-matching ID
PubChem CID
9840517
CAS Number
207922-70-1
TTD ID
D03FLT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor beta-3 (ADRB3) TTMXGCW ADRB3_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Diabetic complication
ICD Disease Classification 5A2Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Adrenergic receptor beta-3 (ADRB3) DTT ADRB3 7.81E-01 0.02 0.16
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 800013231)
2 CN patent application no. 1717230, Pharmaceutical composition comprising a beta-3-adrenoceptor agonist and a serotonin and/or norepinephrine reuptake inhibitor.