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]
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
ChEBI ID
CHEMBL453730
CAS Number
73029-73-9
TTD ID
D00DIF
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]

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]
L-dopachrome tautomerase (DCT) OTYVNTBG TYRP2_HUMAN Gene/Protein Processing [3]
Microphthalmia-associated transcription factor (MITF) OT6XJCZH MITF_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) 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) 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.