chlorambucil

Ligand id: 7143

Name: chlorambucil

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 40.54
Molecular weight 303.08
XLogP 3.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1957))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name
4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid
International Nonproprietary Names
INN number INN
603 chlorambucil
Synonyms
chlorbutin | Leukeran®
Comments
Chlorambucil is a DNA alkylating agent.
Database Links
CAS Registry No. 305-03-3
ChEMBL Ligand CHEMBL515
DrugBank Ligand DB00291
GtoPdb PubChem SID 178103719
PubChem CID 2708
RCSB PDB Ligand CBL
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Wikipedia Chlorambucil