Details of the Drug

General Information of Drug (ID: DM64L9I)

Drug Name

CyPPA

Synonyms

73029-73-9; N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine; CHEMBL453730; cyclohexyl-[2-(3,5-dimethyl-pyrazol-1-yl)-6-methyl-pyrimidin-4-yl]-amine; C16H23N5; N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine; AC1LIR5Q; SCHEMBL3233745; GTPL2323; CTK8F8875; DTXSID20358676; USEMRPYUFJNFQN-UHFFFAOYSA-N; MolPort-000-762-862; ZINC492516; HMS3262M15; Tox21_500707; STK052676; MFCD01550586; BDBM50275157; CyPPA, &gt

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)

285.39

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H23N5
IUPAC Name: N-cyclohexyl-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
Canonical SMILES: CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)NC3CCCCC3
InChI: InChI=1S/C16H23N5/c1-11-10-15(18-14-7-5-4-6-8-14)19-16(17-11)21-13(3)9-12(2)20-21/h9-10,14H,4-8H2,1-3H3,(H,17,18,19)
InChIKey: USEMRPYUFJNFQN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 909822
CAS Number: 73029-73-9
TTD ID: D00DIF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium-activated potassium channel KCa2.2 (KCNN2)	TT2T5M0	KCNN2_HUMAN	Activator	[2]
Calcium-activated potassium channel KCa2.3 (KCNN3)	TT9JH25	KCNN3_HUMAN	Activator	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
5,6-dihydroxyindole-2-carboxylic acid oxidase	OTRK49R4	TYRP1_HUMAN	Gene/Protein Processing	[3]
Catenin beta-1 (CTNNB1)	OTZ932A3	CTNB1_HUMAN	Protein Interaction/Cellular Processes	[3]
Glycogen synthase kinase-3 beta (GSK3B)	OTL3L14B	GSK3B_HUMAN	Post-Translational Modifications	[3]
L-dopachrome tautomerase (DCT)	OTYVNTBG	TYRP2_HUMAN	Gene/Protein Processing	[3]
Microphthalmia-associated transcription factor (MITF)	OT6XJCZH	MITF_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Calcium-activated potassium channel KCa2.2 (KCNN2)	DTT	KCNN2	5.17E-02	1.41E-02	0.15

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression 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: 2323).
2	Selective positive modulation of the SK3 and SK2 subtypes of small conductance Ca2+-activated K+ channels. Br J Pharmacol. 2007 Jul;151(5):655-65.
3	The ion channel activator CyPPA inhibits melanogenesis via the GSK3/-catenin pathway. Chem Biol Interact. 2019 Feb 25;300:1-7. doi: 10.1016/j.cbi.2018.12.014. Epub 2018 Dec 28.