General
Preferred name
PENTAMIDINE
Synonyms
PENTAMIDINE ISETHIONATE ()
Mb 800 ()
Pentamidine (dihydrochloride) ()
MP601205 dihydrochloride ()
Pentamidine isethionate salt ()
PENTAMIDINE DIISETHIONATE ()
MP-601205 (dihydrochloride) ()
Pentamidine ()
Pentamidine (isethionate) ()
pentamidine isethionate, Oncozyme ()
MP-601205 (isethionate) ()
Pentamidine dihydrochloride ()
MB 800 ()
NSC-620107 ()
OCZ103-OS ()
RP 2512 ()
Pentamidine diisetionate ()
Pentamidine diisethionate ()
Nebupent ()
Pentamidini isetionas ()
Pentamidine Isetionate ()
Pentam ()
NSC-757400 ()
Pentacarinat ()
Pentamidine Isethionate ()
RP-2512 FREE BASE ()
RP 2512 [AS ISETHIONATE) ()
GNF-Pf-3680 ()
Pentacarinat [as isethionate] ()
RP-2512 ()
RP 2512 FREE BASE ()
MB 800 FREE BASE ()
MB 800 [AS ISETHIONATE] ()
NSC-9921 ()
Pentam 300 [as isethionate] ()
MB-800 ()
MP-601205 ()
Nebupent [as isethionate] ()
Pentam 300 ()
MB-800 (AS ISETHIONATE) ()
MB-800 FREE BASE ()
P&D ID
PD010048
CAS
100-33-4
140-64-7
50357-45-4
Tags
natural product
drug
available
Approved by
FDA
First approval
1984
Drug Status
investigational
approved
Drug indication
Fungal infection
Human immunodeficiency virus infection
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Pentamidine is an inhibitor of PRL Phosphatases and also inhibits synthesis of DNA, RNA and protein. It is an antimicrobial medication given for prevention and treatment of Pneumocystis pneumonia (PCP) caused by Pneumocystis jirovecii (formerly known as Pneumocystis carinii), a severe interstitial type of pneumonia often seen in patients with HIV infection. The drug is also the mainstay of treatment for stage I infection with Trypanosoma brucei gambiense (West African Trypanosomiasis). (BOC Sciences Bioactive Compounds)
DESCRIPTION NMDA glutamate receptor antagonist; neuroprotective agent; antimicrobial agent prescribed for the treatment of AIDS-associated Pneumocystis carinii pneumonia (LOPAC library)
Cell lines
14
Organisms
27
Compound Sets
27
BOC Sciences Bioactive Compounds
pentamidine-dihydrochloride-cas-50357-45-4-283035
Cayman Chemical Bioactives
20679
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
CHEMBL361506
CHEMBL55
ChEMBL Drugs
CHEMBL361506
CHEMBL55
Drug Repurposing Hub
DrugBank
DB00738
DrugBank Approved Drugs
DB00738
DrugCentral
2090
DrugCentral Approved Drugs
2090
DrugMAP
DMHZJCG
DrugMAP Approved Drugs
DMHZJCG
DrugMatrix
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS100817
Ki Database
Pentamidine
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL55
MedChem Express Bioactive Compound Library
HY-B0537B
NCATS Inxight Approved Drugs
673LC5J4LQ
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
pentamidine-isethionate
TargetMol Bioactive Compound Library
T1654
The Pathogen Box
The Spectrum Collection
External IDs
77
Properties
(calculated by RDKit )
Molecular Weight
340.19
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
2
cLogP
2.88
TPSA
118.2
Fraction CSP3
0.26
Chiral centers
0.0
Largest ring
6.0
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
NMDA
Target
Parasite
DNA
Kinetoplast DNA
Antibacterial
Fungal
phosphatase
TRDMT1
antibiotic
Bacterial
Disease
REFERENCE COMPOUNDS
Pathway
Anti-infection
Microbiology&virology
Metabolic Enzyme/Protease
MOA
Unknown molecular target
anti-pneumocystis agent
Indication
pneumonia
Therapeutic Class
Antifungal Agents
Source data