General
Preferred name
NIMUSTINE
Synonyms
NIMUSTINE HYDROCHLORIDE ()
Nidran hydrochloride ()
Nimustine (hydrochloride) ()
ACNU ()
Nimustine HCl ()
NSC-758675 ()
P&D ID
PD002670
CAS
42471-28-3
52208-23-8
55661-38-6
Tags
natural product
drug
available
Drug Status
investigational
approved
Max Phase
Phase 2
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Antineoplastic; bifunctional nitrosourea alkylating anticancer agent
(LOPAC library)
DESCRIPTION
An organochlorine compound that is urea in which the two hydrogens on one of the amino groups are replaced by nitroso and 2-chloroethyl groups and one hydrogen from the other amino group is replaced by a 4-amino-2-methylpyrimidin-5-ylmethyl] group. An antineoplastic agent especially effective against malignant brain tumors.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
14
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
LOPAC library
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
44
Molecular Weight
272.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
1
cLogP
0.8
TPSA
113.57
Fraction CSP3
0.44
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Cell Cycle/DNA Damage
Target
DNA alkylator/crosslinker
DNA/RNA Synthesis
Source data
