Details of the Drug

General Information of Drug (ID: DM80QF9)

Drug Name

H-8

Synonyms

84478-11-5; Protein kinase inhibitor H-8; h-8; H-8 Protein kinase inhibitor; N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide; N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE; N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide; (5-Isoquinolylsulfonyl)[2-(methylamino)ethyl]amine; Lopac-M-9656; CHEMBL148333; CHEBI:43561; H8; N-(2-methylaminoethyl)isoquinoline-5-sulfonamide; (5-Isoquinolylsulfonyl)(2-(methylamino)ethyl)amine; 5-Isoquinolinesulfonamide, N-(2-(methylamino)ethyl)-; N-(2-(Methylamino)ethyl)isoquinoline- 5-s

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

265.33

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C12H15N3O2S
IUPAC Name: N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide
Canonical SMILES: CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2
InChI: InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3
InChIKey: PJWUXKNZVMEPPH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3540
ChEBI ID: CHEBI:43561
CAS Number: 84478-11-5
DrugBank ID: DB07997
TTD ID: D02NGU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclic nucleotide-gated channel alpha-1 (CNGA1)	TTHIQMC	CNGA1_HUMAN	Blocker (channel blocker)	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
DNA-directed RNA polymerase II subunit RPB1 (POLR2A)	OTHJQ1DZ	RPB1_HUMAN	Post-Translational Modifications	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2348).
2	Direct blockade of both cloned rat rod photoreceptor cyclic nucleotide-gated non-selective cation (CNG) channel alpha-subunit and native CNG channels from Xenopus rod outer segments by H-8, a non-specific cyclic nucleotide-dependent protein kinase inhibitor. Neurosci Lett. 1997 Sep 12;233(1):37-40.
3	Phosphorylation of the RNA polymerase II largest subunit during heat shock and inhibition of transcription in HeLa cells. J Cell Physiol. 1994 Mar;158(3):417-26. doi: 10.1002/jcp.1041580305.