Details of the Drug

General Information of Drug (ID: DMTMVYH)

• Drug Name: ZM-39923
• Synonyms: ZM39923; 273727-89-2; ZM-39923; UNII-M0ZX82000S; M0ZX82000S; 3-[benzyl(propan-2-yl)amino]-1-(naphthalen-2-yl)propan-1-one; 3-(Benzyl(propan-2-yl)amino)-1-(naphthalen-2-yl)propan-1-one; JSASWRWALCMOQP-UHFFFAOYSA-N; Tocris-1367; NCGC00025126-01; AC1L1GQH; Lopac-Z-4626; Lopac0_000844; SCHEMBL2891331; GTPL5994; CHEMBL596674; CHEBI:92715; BDBM81346; CTK6A9359; M9440 (Me-3,4-dephostatin); ZINC1487934; HY-12589A; HSCI1_000104; AKOS030526763; CS-4952; CCG-204927; NCGC00025126-02; NCGC00016107-05; NCGC00016107-02; NCGC00016107-09

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 331.4
  Logarithm of the Partition Coefficient (xlogp); 5.1
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C23H25NO
  IUPAC Name: 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one
  Canonical SMILES: CC(C)N(CCC(=O)C1=CC2=CC=CC=C2C=C1)CC3=CC=CC=C3
  InChI: InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
  InChIKey: JSASWRWALCMOQP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3797
  ChEBI ID: CHEBI:92715
  CAS Number: 273727-89-2
  TTD ID: D0YX5U

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Janus kinase 1 (JAK-1)	TT6DM01	JAK1_HUMAN	Inhibitor	[1]
Janus kinase 3 (JAK-3)	TTT7PJU	JAK3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Janus kinase 1 (JAK-1)	DTT	JAK1	6.35E-07	-0.28	-1.07

References

• [1] Naphthyl ketones: a new class of Janus kinase 3 inhibitors. Bioorg Med Chem Lett. 2000 Mar 20;10(6):575-9.