Details of the Drug

General Information of Drug (ID: DM4N2O0)

Drug Name
Apilimod dimesylate
Indication
Disease Entry ICD 11 Status REF
Non-hodgkin lymphoma 2B33.5 Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
2		 Molecular Weight 610.7
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 14
Chemical Identifiers
Formula
C25H34N6O8S2
IUPAC Name
methanesulfonic acid;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
Canonical SMILES
CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4.CS(=O)(=O)O.CS(=O)(=O)O
InChI
InChI=1S/C23H26N6O2.2CH4O3S/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20;2*1-5(2,3)4/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28);2*1H3,(H,2,3,4)/b25-17+;;
InChIKey
GAJWNIKZLYZYSY-OKUPSQOASA-N
Cross-matching ID
PubChem CID
11527330
CAS Number
870087-36-8
TTD ID
D03SUQ
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
H(+)/Cl(-) exchange transporter 7 (CLCN7) OTJVSUK1 CLCN7_HUMAN Drug Response [2]
Interleukin-12 subunit beta (IL12B) OT0JF8A3 IL12B_HUMAN Gene/Protein Processing [3]
Interleukin-23 subunit alpha (IL23A) OTYO99HC IL23A_HUMAN Gene/Protein Processing [3]
Interleukin-8 (CXCL8) OTS7T5VH IL8_HUMAN Gene/Protein Processing [3]
Keratin, type I cytoskeletal 16 (KRT16) OTGA0EQN K1C16_HUMAN Gene/Protein Processing [3]
Microtubule-associated proteins 1A/1B light chain 3A (MAP1LC3A) OTPMGIU4 MLP3A_HUMAN Gene/Protein Processing [4]
Next to BRCA1 gene 1 protein (NBR1) OTVRL7J9 NBR1_HUMAN Gene/Protein Processing [4]
Osteopetrosis-associated transmembrane protein 1 (OSTM1) OTKNJDH7 OSTM1_HUMAN Drug Response [2]
Sorting nexin-10 (SNX10) OT05B7BT SNX10_HUMAN Drug Response [2]
Transcription factor EB (TFEB) OTJUJJQY TFEB_HUMAN Drug Response [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Identification of apilimod as a first-in-class PIKfyve kinase inhibitor for treatment of B-cell non-Hodgkin lymphoma. Blood. 2017 Mar 30;129(13):1768-1778. doi: 10.1182/blood-2016-09-736892. Epub 2017 Jan 19.
3 New interleukin-23 pathway inhibitors in dermatology: ustekinumab, briakinumab, and secukinumab. Am J Clin Dermatol. 2011 Apr 1;12(2):113-25. doi: 10.2165/11538950-000000000-00000.
4 PIKfyve inhibition increases exosome release and induces secretory autophagy. Cell Mol Life Sci. 2016 Dec;73(24):4717-4737. doi: 10.1007/s00018-016-2309-8. Epub 2016 Jul 20.