Details of the Drug

General Information of Drug (ID: DMIRX3Z)

Drug Name
BM-212
Synonyms
BM-212; BM212; UNII-U9HSU4GZWL; 146204-42-4; U9HSU4GZWL; 1-{[1,5-Bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl}-4-methylpiperazine; 1-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine; BM 212; AC1L9VRH; CHEMBL321077; SCHEMBL1452627; BCP24821; ZINC22445591; AKOS032944899; CS-5953; Piperazine, 1-((1,5-bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-4-methyl-; HY-100725
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 414.4
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C23H25Cl2N3
IUPAC Name
1-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
Canonical SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C
InChI
InChI=1S/C23H25Cl2N3/c1-17-19(16-27-13-11-26(2)12-14-27)15-23(18-3-5-20(24)6-4-18)28(17)22-9-7-21(25)8-10-22/h3-10,15H,11-14,16H2,1-2H3
InChIKey
YWZIODCWLMCMMW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
456926
CAS Number
146204-42-4
TTD ID
D0D4VH
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mycobacterium Membrane protein mmpL3 (MycB mmpL3) TTTLB3R MMPL3_MYCTU Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 MmpL3 is the cellular target of the antitubercular pyrrole derivative BM212. Antimicrob Agents Chemother. 2012 Jan;56(1):324-31.