Details of the Drug

General Information of Drug (ID: DMW7VGZ)

• Drug Name: PegCNTF
• Synonyms: Piperidine, 1-acetyl-4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-; Sch-37370; 117796-52-8; Sch 37370; UNII-GA60WRR45J; N-Acetyldesloratadine; GA60WRR45J; CHEMBL10971; RESPATADINE; ethanone, 1-[4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl]-; AC1L1TPN; AC1Q5KQ9; SCHEMBL3071641; GTPL1853; DTXSID10151911; FLTBEMVEAFMWDD-UHFFFAOYSA-N; ZINC596712; BDBM50007473; 1-Acetyl-4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cycloheptal(1,2-b)pyridin-11-ylidine)piperidine; SCH-37370

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 352.9
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C21H21ClN2O
  IUPAC Name: 1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone
  Canonical SMILES: CC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
  InChI: InChI=1S/C21H21ClN2O/c1-14(25)24-11-8-15(9-12-24)20-19-7-6-18(22)13-17(19)5-4-16-3-2-10-23-21(16)20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
  InChIKey: FLTBEMVEAFMWDD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 60680
  ChEBI ID: CHEMBL10971
  CAS Number: 117796-52-8
  TTD ID: D0C2HI
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Ciliary neurotrophic factor receptor alpha (CNTFR)	TTT2F9E	CNTFR_HUMAN	Agonist	[1]
Platelet-activating factor receptor (PTAFR)	TTQL5VC	PTAFR_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Obesity
• ICD Disease Classification: 5B81

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Platelet-activating factor receptor (PTAFR)	DTT	PTAFR	3.53E-02	0.33	2.12

References

• [1] Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60.
• [2] Sch 37370: a new drug combining antagonism of platelet-activating factor (PAF) with antagonism of histamine. Agents Actions Suppl. 1991;34:313-21.