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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1670
CHEMBL1670
Compound Name MITOTANE
ChEMBL Synonyms CB 313 | LYSODREN | MITOTANE | O,P'-DDD | CB-313
Max Phase 4 (Approved)
Trade Names LYSODREN
Molecular Formula C14H10Cl4

Additional synonyms for CHEMBL1670 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl
Standard InChI InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2- ...
Download InChI
Standard InChI Key JWBOIMRXGHLCPP-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


CHEMBL1670

Molecule Features

CHEMBL1670 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Cytochrome P450 11A1 inhibitor Cytochrome P450 11A1 PubMed
Cytochrome P450 11B1 inhibitor Cytochrome P450 11B1 PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ADRENOCORTICAL CARCINOMAD018268EFO:0003093ADRENOCORTICAL CARCINOMA3ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0001663PROSTATE CARCINOMA1ClinicalTrials
NEOPLASMSD009369EFO:0000616NEOPLASM4ATC

Clinical Data

ClinicalTrials.gov MITOTANE
The Cochrane Collaboration MITOTANE

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 CHEMBL1670. 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
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.957
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 0.905
CHEMBL222 Norepinephrine transporter Homo sapiens 0.790
CHEMBL2014 Nociceptin receptor Homo sapiens 0.774
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.718
CHEMBL6115 Lysosomal protective protein Homo sapiens 0.697
CHEMBL3338 Squalene synthetase Homo sapiens 0.570
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.466
CHEMBL6184 Transporter Rattus norvegicus 0.406
CHEMBL2949 Cyclooxygenase-1 Ovis aries 0.224



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.977
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 0.953
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.758
CHEMBL222 Norepinephrine transporter Homo sapiens 0.709
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.679
CHEMBL2014 Nociceptin receptor Homo sapiens 0.612
CHEMBL2285 ADAMTS5 Homo sapiens 0.585
CHEMBL3338 Squalene synthetase Homo sapiens 0.411
CHEMBL6184 Transporter Rattus norvegicus 0.383
CHEMBL5192 Botulinum neurotoxin type A Clostridium botulinum 0.281

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
320 317.9537 5.75 3 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 1 0 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.41 5.41 2 18 0.63

Structural Alerts

There are 6 structural alerts for CHEMBL1670. To view alerts please click here.

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 - ANTINEOPLASTIC AGENTS
L01X - OTHER ANTINEOPLASTIC AGENTS
L01XX - Other antineoplastic agents
L01XX23 - mitotane

ChemSpider ChemSpider:JWBOIMRXGHLCPP-UHFFFAOYSA-N
DailyMed mitotane
PubChem SID: 104171128 SID: 144203654 SID: 144213121 SID: 170464927 SID: 17389949 SID: 174007193 SID: 26747348 SID: 26752984 SID: 50105583 SID: 56462780 SID: 85230966 SID: 90341596 SID: 94579
Wikipedia Mitotane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1670



ACToR 53-19-0
Brenda 55840
ChEBI 6954
DrugBank DB00648
DrugCentral 1820
eMolecules 492709
EPA CompTox Dashboard DTXSID9020372
Guide to Pharmacology 6957
Human Metabolome Database HMDB0014786
IBM Patent System CAD5632B1CD651E94E0010B53B33B54B
LINCS LSM-1451
Mcule MCULE-2068358149
Nikkaji J1.366H
PharmGKB PA164746157
PubChem 4211
PubChem: Thomson Pharma 14801378
SureChEMBL SCHEMBL4040

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