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]
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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

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
H(+)/Cl(-) exchange transporter 7 (CLCN7)	OTJVSUK1	CLCN7_HUMAN	Drug Response	[2]
Interferon gamma (IFNG)	OTXG9JM7	IFNG_HUMAN	Gene/Protein Processing	[3]
Interleukin-10 (IL10)	OTIRFRXC	IL10_HUMAN	Gene/Protein Processing	[3]
Interleukin-12 subunit beta (IL12B)	OT0JF8A3	IL12B_HUMAN	Gene/Protein Processing	[3]
Interleukin-17A (IL17A)	OTY72FT2	IL17_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]

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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.