Details of the Drug

General Information of Drug (ID: DMDBW2N)

Drug Name

JNJ-64619178

Synonyms

2086772-26-9; UNII-N8VKI8FPW0; N8VKI8FPW0; JNJ64619178; CHEMBL4249337; (1S,2R,3S,5R)-3-(2-(2-Amino-3-bromoquinolin-7-yl)ethyl)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol; Onametostat; (1S,2R,3S,5R)-3-(2-(2-Amino-3-bromoquinolin-7-yl)ethyl)-5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)cyclopentane-1,2-diol; entane-1,2-diol; Onametostat [INN]; SCHEMBL18572106; EX-A2791; BDBM50462572; NSC808507; NSC-808507; JNJ45031882; HY-101564; CS-0021720; S8624; A16861; (1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop; (1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol; 1,2-Cyclopentanediol, 3-(2-(2-amino-3-bromo-7-quinolinyl)ethyl)-5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-, (1S,2R,3S,5R)-; K8N

Indication

Disease Entry	ICD 11	Status	REF
Myelodysplastic syndrome	2A37	Phase 1	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

483.4

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C22H23BrN6O2
IUPAC Name: (1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
Canonical SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC3=C(N=CN=C32)N)O)O)CCC4=CC5=NC(=C(C=C5C=C4)Br)N
InChI: InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1
InChIKey: DBSMLQTUDJVICQ-CJODITQLSA-N

Cross-matching ID

PubChem CID: 126637809
CAS Number: 2086772-26-9
TTD ID: DFZ0V3

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein arginine methyltransferase 5 (PRMT5)	TTR1D7X	ANM5_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT03573310) A Study of JNJ-64619178, an Inhibitor of PRMT5 in Participants With Advanced Solid Tumors, NHL, and Lower Risk MDS. U.S. National Institutes of Health.
2	A patent review of arginine methyltransferase inhibitors (2010-2018). Expert Opin Ther Pat. 2019 Feb;29(2):97-114.