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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106246
CHEMBL2106246
Compound Name HYDRACARBAZINE
ChEMBL Synonyms TH-2151 | HYDRACARBAZINE
Max Phase 0
Trade Names
Molecular Formula C5H7N5O

Additional synonyms for CHEMBL2106246 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N\N=C\1/NN=C(C=C1)C(=O)N
Standard InChI InChI=1S/C5H7N5O/c6-5(11)3-1-2-4(8-7)10-9-3/h1-2H,7H2,(H2,6, ...
Download InChI
Standard InChI Key WRYZEGZNBYOMLE-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106246

Molecule Features

CHEMBL2106246 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov HYDRACARBAZINE
The Cochrane Collaboration HYDRACARBAZINE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2106246. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2738 Acrosin Homo sapiens 0.440

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
153.1 153.0651 -1.72 1 110.15 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.95 5.52 -1.42 -1.43 1 11 0.33

Structural Alerts

There are 4 structural alerts for CHEMBL2106246. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WRYZEGZNBYOMLE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106246



ACToR 3614-47-9
ChEBI 136055
DrugBank DB09243
DrugCentral 5125
EPA CompTox Dashboard DTXSID30189716
FDA SRS 6CTK2FB9QM
IBM Patent System EA99A40B86B5A35E417627FA92EF0672
Mcule MCULE-9418429772
MolPort MolPort-006-115-504
Nikkaji J9.581H
PubChem 71653
PubChem: Thomson Pharma 15243119
SureChEMBL SCHEMBL308554
ZINC ZINC000005842953

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