Details of the Drug

General Information of Drug (ID: DMP3QAZ)

Drug Name

CNS-1237

Indication

Disease Entry	ICD 11	Status	REF
Cerebrovascular ischaemia	8B1Z	Terminated	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

367.4

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C24H21N3O
IUPAC Name: 2-(1,2-dihydroacenaphthylen-5-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
Canonical SMILES: COC1=CC=C(C2=CC=CC=C21)NC(=NC3=CC=C4CCC5=C4C3=CC=C5)N
InChI: InChI=1S/C24H21N3O/c1-28-22-14-13-20(17-6-2-3-7-18(17)22)26-24(25)27-21-12-11-16-10-9-15-5-4-8-19(21)23(15)16/h2-8,11-14H,9-10H2,1H3,(H3,25,26,27)
InChIKey: AZZRFSWIWLKNLQ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Charybdotoxin receptor beta-4 (BKbeta4)	TT1AQ50	KCMB4_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Cerebrovascular ischaemia

ICD Disease Classification

8B1Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Charybdotoxin receptor beta-4 (BKbeta4)	DTT	KCNMB4	5.61E-07	0.26	0.41

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001959)
2	Effects of Ca2+ and Na+ channel inhibitors in vitro and in global cerebral ischaemia in vivo. Eur J Pharmacol. 1997 Aug 6;332(2):121-31.