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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1321
CHEMBL1321
Compound Name PROCARBAZINE
ChEMBL Synonyms Matulane | MATULANE | Ro-4-6467/1 | NATULAN | PROCARBAZINE HYDROCHLORIDE | PROCARBAZINE | RO 4-646711
Max Phase 4 (Approved)
Trade Names MATULANE | NATULAN
Molecular Formula C12H19N3O

Additional synonyms for CHEMBL1321 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNNCc1ccc(cc1)C(=O)NC(C)C
Standard InChI InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13- ...
Download InChI
Standard InChI Key CPTBDICYNRMXFX-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1321

Molecule Features

CHEMBL1321 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
GliomaD005910EFO:0000326central nervous system cancer3ClinicalTrials
ClinicalTrials
Hodgkin DiseaseD006689EFO:0000183Hodgkins lymphoma3ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme2ClinicalTrials
ClinicalTrials
Lymphoma, AIDS-RelatedD016483EFO:1001365Lymphoma, AIDS-Related2ClinicalTrials
LymphomaD008223EFO:0000574lymphoma3ClinicalTrials
ClinicalTrials
AstrocytomaD001254EFO:0002499anaplastic astrocytoma2ClinicalTrials

Clinical Data

ClinicalTrials.gov PROCARBAZINE
The Cochrane Collaboration PROCARBAZINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1321. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.578

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.317

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
221.3 221.1528 1.05 5 53.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.85 .06 -.64 1 16 0.65

Structural Alerts

There are 6 structural alerts for CHEMBL1321. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XB - Methylhydrazines
L01XB01 - procarbazine

ChemSpider ChemSpider:CPTBDICYNRMXFX-UHFFFAOYSA-N
DailyMed procarbazine hydrochloride
PubChem SID: 11112335 SID: 144212055 SID: 174007426
Wikipedia Procarbazine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1321



ACToR 671-16-9
Brenda 30881
ChEBI 71417
DrugBank DB01168
DrugCentral 2272
EPA CompTox Dashboard DTXSID4021189
FDA SRS 35S93Y190K
Guide to Pharmacology 7278
Human Metabolome Database HMDB0015299
IBM Patent System EF299857D38AB80E0A867950E484C441
KEGG Ligand C07402
LINCS LSM-2272
Mcule MCULE-9065058360
Nikkaji J3.018J
PharmGKB PA451112
PubChem 4915
PubChem: Thomson Pharma 15195970
SureChEMBL SCHEMBL4656
ZINC ZINC000019166988

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CPTBDICYNRMXFX-UHFFFAOYSA-N spacer
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