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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL715
CHEMBL715
Compound Name OLANZAPINE
ChEMBL Synonyms LY-170053 | OLANZAPINE PAMOATE | OLANZAPINE | ZYPREXA RELPREVV | Zyprexa Zydis | ZYPREXA
Max Phase 4 (Approved)
Trade Names ZYPREXA RELPREVV | Zyprexa Zydis | ZYPREXA | OLANZAPINE
Molecular Formula C17H20N4S

Additional synonyms for CHEMBL715 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN(CC1)C2=Nc3ccccc3Nc4sc(C)cc24
Standard InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14- ...
Download InChI
Standard InChI Key KVWDHTXUZHCGIO-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • Curated Drug Pharmacokinetic Data
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL715

Molecule Features

CHEMBL715 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
D2-like dopamine receptor antagonist D2-like dopamine receptor DailyMed FDA FDA
Serotonin 2a (5-HT2a) receptor antagonist Serotonin 2a (5-HT2a) receptor DailyMed FDA FDA
Serotonin 2c (5-HT2c) receptor antagonist Serotonin 2c (5-HT2c) receptor DailyMed FDA FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DIABETES MELLITUSD003920EFO:0000400DIABETES MELLITUS2ClinicalTrials
HEMATOLOGIC NEOPLASMSD019337EFO:0001642LYMPHOID NEOPLASM3ClinicalTrials
POSTOPERATIVE NAUSEA AND VOMITINGD020250EFO:0004888POST OPERATIVE NAUSEA AND VOMITING2ClinicalTrials
HIV INFECTIONSD015658EFO:0000764HIV INFECTION1ClinicalTrials
INSULIN RESISTANCED007333EFO:0002614INSULIN RESISTANCE2ClinicalTrials
BREAST NEOPLASMSD001943EFO:0000305BREAST CARCINOMA3ClinicalTrials
ALCOHOLISMD000437EFO:0003829ALCOHOL DEPENDENCE3ClinicalTrials
DEPRESSIVE DISORDERD003866EFO:0003761UNIPOLAR DEPRESSION3ClinicalTrials
HUNTINGTON DISEASED006816Orphanet:399HUNTINGTON DISEASE3ClinicalTrials
SCHIZOPHRENIAD012559EFO:0000692SCHIZOPHRENIA4DailyMed
ClinicalTrials
ClinicalTrials
DailyMed
LECITHIN ACYLTRANSFERASE DEFICIENCYD007863Orphanet:79292FISH-EYE DISEASE1ClinicalTrials
EATING DISORDERSD001068EFO:0005203EATING DISORDER3ClinicalTrials
NAUSEAD009325EFO:0006911CHEMOTHERAPY-INDUCED NAUSEA AND VOMITING2ClinicalTrials
NEOPLASMSD009369EFO:0000311CANCER2ClinicalTrials
PSYCHOTIC DISORDERSD011618EFO:0005407PSYCHOSIS4ATC
GAMBLINGD005715EFO:0004699GAMBLING BEHAVIOUR3ClinicalTrials
AUTISTIC DISORDERD001321EFO:0003758AUTISM2ClinicalTrials
BIPOLAR DISORDERD001714EFO:0000289BIPOLAR DISORDER4ClinicalTrials
DailyMed
DailyMed
VOMITINGD014839HP:0002013VOMITING2ClinicalTrials

Clinical Data

ClinicalTrials.gov OLANZAPINE
The Cochrane Collaboration OLANZAPINE

Metabolites for CHEMBL715

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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 CHEMBL715. 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
CHEMBL2056 Dopamine D1 receptor Homo sapiens 1.000
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 1.000
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 1.000
CHEMBL1850 Dopamine D5 receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.998
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.997
CHEMBL3998 Dopamine D2 receptor Bos taurus 0.997
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 0.992
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.990
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.977
CHEMBL231 Histamine H1 receptor Homo sapiens 0.970
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.958
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.957
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.944
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.944
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.929
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.844
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.835
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 0.810
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.778



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2056 Dopamine D1 receptor Homo sapiens 1.000
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 1.000
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 1.000
CHEMBL3998 Dopamine D2 receptor Bos taurus 0.998
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.997
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.995
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.987
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.956
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 0.955
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.872
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.822
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.818
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.806
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.713
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.643
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.619
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.572
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.475
CHEMBL223 Alpha-1d adrenergic receptor Homo sapiens 0.458
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 0.419

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
312.4 312.1409 2.69 1 59.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.78 3.08 2.35 2 22 0.88

Structural Alerts

There are no structural alerts for CHEMBL715

Compound Cross References

ATC N - NERVOUS SYSTEM
N05 - PSYCHOLEPTICS
N05A - ANTIPSYCHOTICS
N05AH - Diazepines, oxazepines, thiazepines and oxepines
N05AH03 - olanzapine

ChemSpider ChemSpider:KVWDHTXUZHCGIO-UHFFFAOYSA-N
DailyMed olanzapine olanzapine pamoate
PubChem SID: 144205109 SID: 170465009 SID: 174006883 SID: 26719852 SID: 26750094 SID: 29215187 SID: 49666419
Wikipedia Olanzapine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL715



ACToR 132539-06-1
Atlas olanzapine
BindingDB 35254
Brenda 7606
ChEBI 7735
DrugBank DB00334
DrugCentral 1982
eMolecules 902226
EPA CompTox Dashboard DTXSID9023388
FDA SRS N7U69T4SZR
Human Metabolome Database HMDB0005012
IBM Patent System E310BFC665AA2356147B508611EAB469
KEGG Ligand C07322
LINCS LSM-5359
MolPort MolPort-002-885-845
NIH Clinical Collection SAM001246652
Nikkaji J489.991A
NMRShiftDB 10021706
PubChem: Drugs of the Future 12014657
PubChem: Thomson Pharma 14923451
Selleck Olanzapine(Zyprexa)
SureChEMBL SCHEMBL28763
ZINC ZINC000052957434

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