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]
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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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.