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]
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) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
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
CHEMBL8242
CAS Number
54-91-1
UNII
6Q99RDT97R
DrugBank ID
DB00236
TTD ID
D03FNJ
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.