Details of the Drug

General Information of Drug (ID: DM8TA0M)

Drug Name

N,N'-Di-acenaphthen-5-yl-guanidine

Synonyms

CHEMBL307395; 157970-69-9; Cns 1145; 1,3-di(1,2-dihydroacenaphthylen-5-yl)guanidine; AC1L4RHN; AC1Q4SU4; Cns-1145; SCHEMBL6155294; CTK4C9538; N,N'-Bis(5-acenaphthyl)guanidine; BDBM50285278; N,N''-Di-acenaphthen-5-yl-guanidine; AKOS030602590; 1,2-bis(1,2-dihydroacenaphthylen-5-yl)guanidine

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

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

363.5

Logarithm of the Partition Coefficient (xlogp)

5.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C25H21N3
IUPAC Name: 1,2-bis(1,2-dihydroacenaphthylen-5-yl)guanidine
Canonical SMILES: C1CC2=CC=C(C3=CC=CC1=C23)NC(=NC4=CC=C5CCC6=C5C4=CC=C6)N
InChI: InChI=1S/C25H21N3/c26-25(27-21-13-11-17-9-7-15-3-1-5-19(21)23(15)17)28-22-14-12-18-10-8-16-4-2-6-20(22)24(16)18/h1-6,11-14H,7-10H2,(H3,26,27,28)
InChIKey: DPWVUEQXMOBVOQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 190902
CAS Number: 157970-69-9
TTD ID: D07FEO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated calcium channel alpha Cav1.3 (CACNA1D)	TT7RGTM	CAC1D_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	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).