Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMEA9KH)

• Drug Name: (-)-(S)-BayK8644 Drug Info
• Synonyms: 98625-26-4; (S)-(-)-BAY K 8644; Bay-K-8644 ((S)-(-)-); Bay-K-8644 (S)-(-)-; (S)-(-)-Bay K8644; methyl (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate; S-(-)-1,4-Dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3-pyridinecarboxylic acid methyl ester; CHEMBL283013; Tocris-1544; Lopac-B-112; (S)-BayK8644; GTPL4065; AC1O7G05; SCHEMBL2845539; (S)-Bay K8644; CHEBI:93962; (S)-Bay-K-8644; DTXSID50424954; MolPort-003-940-398; CHEBI:131347

Indication

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

• Cross-matching ID:
  PubChem CID: 6603728
  ChEBI ID: CHEBI:93962
  CAS Number: CAS 98625-26-4
  TTD Drug ID: DMEA9KH

Molecule-Related Drug Atlas

Drug(s) Targeting Voltage-gated calcium channel alpha Cav1.3 (CACNA1D)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ARC029	DMYNJHI	Alzheimer disease	8A20	Phase 3	[6]
SIPATRIGINE	DMMQ4GC	Neurological disorder	6B60	Discontinued in Phase 2	[7]
SNAP-5089	DMROJEN	Heart arrhythmia	BC65	Terminated	[8]
TH-9229	DMG1MPD	Reperfusion injury	ND56.Z	Terminated	[9]
CGS-27830	DM8TLY3	N. A.	N. A.	Terminated	[10]
PD-32577	DMBA15J	Discovery agent	N.A.	Investigative	[11]
CPU-228	DMM8FUT	Cardiac failure	BD10-BD13	Investigative	[4]
CV-4093	DM983QP	Discovery agent	N.A.	Investigative	[6]
[3H](+)-isradipine	DM7QE1J	Discovery agent	N.A.	Investigative	[12]
MEBUDIPINE	DM0P59E	Discovery agent	N.A.	Investigative	[13]

Drug(s) Targeting Voltage-gated calcium channel alpha Cav1.1 (CACNA1S)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
[3H](-)devapamil	DM0KGHP	Discovery agent	N.A.	Investigative	[14]
[3H](+)-isradipine	DM7QE1J	Discovery agent	N.A.	Investigative	[15]
[3H](+)-cis-diltiazem	DMP6XL9	Discovery agent	N.A.	Investigative	[16]
FPL64176	DMB8U4F	Discovery agent	N.A.	Investigative	[2]
SZ(+)-(S)-202-791	DM8L6ZF	Discovery agent	N.A.	Investigative	[2]

Drug(s) Targeting Voltage-gated calcium channel alpha Cav1.2 (CACNA1C)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
RAUWOLFIA SERPENTINA ROOT	DMWTVAN	Discovery agent	N.A.	Approved	[17]
ARC029	DMYNJHI	Alzheimer disease	8A20	Phase 3	[6]
SNAP-5089	DMROJEN	Heart arrhythmia	BC65	Terminated	[18]
NIGULDIPINE	DMSPWMF	N. A.	N. A.	Terminated	[17]
TH-9229	DMG1MPD	Reperfusion injury	ND56.Z	Terminated	[9]
CGS-27830	DM8TLY3	N. A.	N. A.	Terminated	[10]
R-56865	DMYTI3J	Angina pectoris	BA40	Terminated	[19]
PD-32577	DMBA15J	Discovery agent	N.A.	Investigative	[11]
CPU-228	DMM8FUT	Cardiac failure	BD10-BD13	Investigative	[3]
CORYNANTHEINE	DM18CUZ	Discovery agent	N.A.	Investigative	[17]

Drug(s) Targeting Voltage-gated calcium channel alpha Cav1.4 (CACNA1F)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
L-(cis)-diltiazem	DMK07MI	Discovery agent	N.A.	Investigative	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated calcium channel alpha Cav1.1 (CACNA1S)	TT94HRF	CAC1S_HUMAN	Activator	[2]
Voltage-gated calcium channel alpha Cav1.2 (CACNA1C)	TTZIFHC	CAC1C_HUMAN	Activator	[3]
Voltage-gated calcium channel alpha Cav1.3 (CACNA1D)	TT7RGTM	CAC1D_HUMAN	Activator	[4]
Voltage-gated calcium channel alpha Cav1.4 (CACNA1F)	TTJ0SO4	CAC1F_HUMAN	Activator	[5]

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: 4065).
• [2] 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. (Target id: 528).
• [3] 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. (Target id: 529).
• [4] 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. (Target id: 530).
• [5] 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. (Target id: 531).
• [6] Dihydropyrimidines: novel calcium antagonists with potent and long-lasting vasodilative and antihypertensive activity. J Med Chem. 1989 Oct;32(10):2399-406.
• [7] Synthesis and characterization of N-(acenaphth-5-yl)-N'-(4-methoxynaphth-1-yl)guanidine as a glutamate release inhibitor and potential anti-ischemic agent, Bioorg. Med. Chem. Lett. 5(19):2259-2262 (1995).
• [8] Discovery of alpha 1a-adrenergic receptor antagonists based on the L-type Ca2+ channel antagonist niguldipine. J Med Chem. 1995 May 12;38(10):1579-81.
• [9] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008159)
• [10] CGS 27830, a potent nonpeptide endothelin receptor antagonist, Bioorg. Med. Chem. Lett. 3(10):2099-2104 (1993).
• [11] Synthesis and biological activity of substituted bis-(4-hydroxyphenyl)methanes as N-type calcium channel blockers. Bioorg Med Chem Lett. 1999 Aug 16;9(16):2447-52.
• [12] alpha 1D (Cav1.3) subunits can form l-type Ca2+ channels activating at negative voltages. J Biol Chem. 2001 Jun 22;276(25):22100-6.
• [13] Antagonism of 4-substituted 1,4-dihydropyridine-3,5-dicarboxylates toward voltage-dependent L-type Ca2+ channels Ca V 1.3 and Ca V 1.2. Bioorg Med Chem. 2010 May 1;18(9):3147-58.
• [14] (-)-[3H]Desmethoxyverapamil, a novel Ca2+ channel probe. Binding characteristics and target size analysis of its receptor in skeletal muscle. FEBS Lett. 1984 Oct 29;176(2):371-7.
• [15] Biochemical characterization of plasma membrane isolated from human skeletal muscle. FEBS Lett. 1985 Sep 2;188(2):222-6.
• [16] High-affinity binding of DTZ323, a novel derivative of diltiazem, to rabbit skeletal muscle L-type Ca++ channels. J Pharmacol Exp Ther. 1997 Apr;281(1):173-9.
• [17] Alpha- and beta-adrenoceptors: from the gene to the clinic. 2. Structure-activity relationships and therapeutic applications. J Med Chem. 1995 Sep 15;38(19):3681-716.
• [18] Design and synthesis of novel dihydropyridine alpha-1a antagonists. Bioorg Med Chem Lett. 1999 Oct 4;9(19):2843-8.
• [19] Novel calcium antagonists with both calcium overload inhibition and antioxidant activity. 1. 2-(3, 5-di-tert-butyl-4-hydroxyphenyl)-3-(aminopropyl)... J Med Chem. 1998 Oct 22;41(22):4309-16.
• [20] Functional characterization of the L-type Ca2+ channel Cav1.4alpha1 from mouse retina. Invest Ophthalmol Vis Sci. 2004 Feb;45(2):708-13.