Details of the Drug

General Information of Drug (ID: DM4JNUH)

• Drug Name: IN1479
• Synonyms: Flt-3 Inhibitor III; IN1479; 5-Phenyl-N-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-thiazolamine; (5-Phenyl-thiazol-2-yl)-(4-(2-pyrrolidin-1-yl-ethoxy)-phenyl)-amine; (5-Phenyl-thiazol-2-yl)-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine; GTPL5972; SCHEMBL2230201; CHEMBL2218935; MolPort-044-561-828; FNZTULJDGIXMJJ-UHFFFAOYSA-N; HMS3229E21; ZINC35052133; CCG-206753; NCGC00387783-01; 5-phenyl-N-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,3-thiazol-2-amine

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 365.5
  Logarithm of the Partition Coefficient (xlogp); 5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H23N3OS
  IUPAC Name: 5-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-2-amine
  Canonical SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)NC3=NC=C(S3)C4=CC=CC=C4
  InChI: InChI=1S/C21H23N3OS/c1-2-6-17(7-3-1)20-16-22-21(26-20)23-18-8-10-19(11-9-18)25-15-14-24-12-4-5-13-24/h1-3,6-11,16H,4-5,12-15H2,(H,22,23)
  InChIKey: FNZTULJDGIXMJJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11772958
  TTD ID: D0X1JO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fms-like tyrosine kinase 3 (FLT-3)	TTGJCWZ	FLT3_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
Fms-like tyrosine kinase 3 (FLT-3)	DTT	FLT3	2.11E-01	-0.05	-0.16

References

• [1] Aromatic interactions with phenylalanine 691 and cysteine 828: a concept for FMS-like tyrosine kinase-3 inhibition. Application to the discovery of a new class of potential antileukemia agents. J MedChem. 2006 Jul 27;49(15):4451-4.