Details of the Drug

General Information of Drug (ID: DMU86XT)

Drug Name
YM-201636
Synonyms
371942-69-7; YM201636; YM 201636; 6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide; 3-pyridinecarboxamide, 6-amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-; 6-amino-n-(3-(4-(4-morpholinyl)pyrido(3',2'-4,5)furo(3,2-d)pyrimidin-2-yl)phenyl)-3-pyridinecarboxamide; 6-amino-N-[3-[4-(4-morpholinyl)-2-pyrido[2,3]furo[2,4-b]pyrimidinyl]phenyl]-3-pyridinecarboxamide; PubChem22459; cc-386; MLS006010997; SCHEMBL258416; CHEMBL2178735; CHEBI:91382; AOB1919; DTXSID90433303; EX-A037; QCR-257; BCPP000006; HMS3229J15; HMS3295C07; HMS3654F03; AMY23718; BCP01972; ABP000099; MFCD16038303; s1219; ZINC34048998; AKOS027250783; CCG-264866; CS-0592; NCGC00346683-01; NCGC00346683-09; 6-amino-N-[3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide; AK175782; AS-16693; HY-13228; SMR004702795; AB0035851; FT-0756177; SW218129-2; Y0272; A19418; W-5608; 942Y697; J-518249; BRD-K48488978-001-01-2; Q27163245; YM-201636,CAS:371942-69-7; 6-Amino-N-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl]pyridine-3-carboxamide; 6-Amino-N-{3-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl}pyridine-3-carboxamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 467.5
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C25H21N7O3
IUPAC Name
6-amino-N-[3-(6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)phenyl]pyridine-3-carboxamide
Canonical SMILES
C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N
InChI
InChI=1S/C25H21N7O3/c26-19-7-6-16(14-28-19)24(33)29-17-4-1-3-15(13-17)22-30-20-18-5-2-8-27-25(18)35-21(20)23(31-22)32-9-11-34-12-10-32/h1-8,13-14H,9-12H2,(H2,26,28)(H,29,33)
InChIKey
YBPIBGNBHHGLEB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9956222
ChEBI ID
CHEBI:91382
CAS Number
371942-69-7
TTD ID
DPN2R7

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphatidylinositol-3-phosphate 5-kinase (PIP5K3) TTA4M1N FYV1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Lysosomes as a therapeutic target. Nat Rev Drug Discov. 2019 Dec;18(12):923-948.
2 PIKfyve negatively regulates exocytosis in neurosecretory cells. J Biol Chem. 2008 Feb 1;283(5):2804-13.