Details of the Drug

General Information of Drug (ID: DM3EUBA)

Drug Name

BC-1215

Synonyms

1507370-20-8; N1,N2-Bis(4-(pyridin-2-yl)benzyl)ethane-1,2-diamine; C26H26N4; N1,N2-Bis[4-(2-pyridinyl)benzyl]-1,2-ethanediamine; CHEMBL4549895; SCHEMBL16781356; AOB4428; SYN5093; EX-A4964; MFCD28118991; ZINC205895150; AS-16457; HY-117937; CS-0068629; N1,N2-Bis[[4-(2-pyridinyl)phenyl]methyl]- 1,2-ethanediamine

Indication

Disease Entry	ICD 11	Status	REF
Inflammation	1A00-CA43.1	Preclinical	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

394.5

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C26H26N4
IUPAC Name: N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
Canonical SMILES: C1=CC=NC(=C1)C2=CC=C(C=C2)CNCCNCC3=CC=C(C=C3)C4=CC=CC=N4
InChI: InChI=1S/C26H26N4/c1-3-15-29-25(5-1)23-11-7-21(8-12-23)19-27-17-18-28-20-22-9-13-24(14-10-22)26-6-2-4-16-30-26/h1-16,27-28H,17-20H2
InChIKey: IXEPQJQQSLMESJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 72201045
TTD ID: DA5RC6

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
F-box only protein 3 (FBXO3)	TTUX14L	FBX3_HUMAN	Antagonist	[1]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Targeting F box protein Fbxo3 to control cytokine-driven inflammation. J Immunol. 2013 Nov 15;191(10):5247-55.