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

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

365.5

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1807).
3	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
4	2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
5	A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
6	2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
7	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
8	Lestaurtinib (CEP701) is a JAK2 inhibitor that suppresses JAK2/STAT5 signaling and the proliferation of primary erythroid cells from patients with ... Blood. 2008 Jun 15;111(12):5663-71.
9	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
10	Metabolism and bioactivation of famitinib, a novel inhibitor of receptor tyrosine kinase, in cancer patients. Br J Pharmacol. 2013 Apr;168(7):1687-706.