Details of the Drug

General Information of Drug (ID: DMVEGND)

Drug Name

GSK3368715

Synonyms

1629013-22-4; N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine; EPZ019997; SCHEMBL16121956; EX-A4367; NSC823806; EPZ-019997; NSC-823806; GSK-3368715; HY-128717; CS-0099584; KZS; N1-((3-(4,4-Bis(ethoxymethyl)cyclohexyl)-1H-pyrazol-4-yl)methyl)-N1,N2-dimethylethane-1,2-diamine

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

366.5

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H38N4O2
IUPAC Name: N'-[[5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
Canonical SMILES: CCOCC1(CCC(CC1)C2=C(C=NN2)CN(C)CCNC)COCC
InChI: InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23)
InChIKey: SPEGERVLTUWZPA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 90462880
ChEBI ID: CHEMBL5559689
TTD ID: DHYZ53

Drug-Molecule Activity Atlas (DMA)^NEW

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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 1 (PRMT1)	TTVOJAI	ANM1_HUMAN	Inhibitor	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT03666988) First Time in Humans (FTIH) Study of GSK3368715 in Participants With Solid Tumors and Diffuse Large B-cell Lymphoma (DLBCL). U.S. National Institutes of Health.
2	National Cancer Institute Drug Dictionary (drug name GSK6097608).