Details of the Drug

General Information of Drug (ID: DMNL0E6)

Drug Name

Pipobroman

Synonyms

Amedel; Pipobromanum; Vercyte; A 1803; A-8103; Pipobroman [USAN:INN]; Pipobromanum [INN-Latin]; VERCYTE (TN); Pipobroman (JAN/USAN/INN); N,N'-Bis(3-bromopropionyl)piperazine; N,N-Bis-(3-bromopropionyl)-piperazine; 1,4-Bis(3-bromopropanoyl)piperazine; 1,4-Bis(3-bromopropionyl)piperazine; 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one

Indication

Disease Entry	ICD 11	Status	REF
Refractory chronic myeloid leukaemia	2A20	Approved	[1]
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Therapeutic Class

Anticancer Agents

Affected Organisms

Humans and other mammals

ATC Code

L01AX02: Pipobroman

L01AX: Other alkylating agents

L01A: ALKYLATING AGENTS

L01: ANTINEOPLASTIC AGENTS

L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

356.05

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Absorption: The drug is well absorbed from the digestive tract []

Chemical Identifiers

Formula: C10H16Br2N2O2
IUPAC Name: 3-bromo-1-[4-(3-bromopropanoyl)piperazin-1-yl]propan-1-one
Canonical SMILES: C1CN(CCN1C(=O)CCBr)C(=O)CCBr
InChI: InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2
InChIKey: NJBFOOCLYDNZJN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4842
ChEBI ID: CHEBI:8242
CAS Number: 54-91-1
UNII: 6Q99RDT97R
DrugBank ID: DB00236
TTD ID: D03FNJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Binder	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7271).
2	Effects of piposulfan (Ancyte) on protein and DNA synthesis in Ehrlich ascites carcinoma. Life Sci II. 1971 Jun 8;10(11):605-12.