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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200686
CHEMBL1200686
Compound Name PIMECROLIMUS
ChEMBL Synonyms SDZ-ASM 981 | PIMECROLIMUS | SDZ ASM 981 | ELIDEL
Max Phase 4 (Approved)
Trade Names ELIDEL
Molecular Formula C43H68ClNO11

Additional synonyms for CHEMBL1200686 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@@H]1\C=C(/C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C) ...
Download SMILES
Standard InChI InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39 ...
Download InChI
Standard InChI Key KASDHRXLYQOAKZ-XDSKOBMDSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1200686

Molecule Features

CHEMBL1200686 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
FK506-binding protein 1A inhibitor FK506-binding protein 1A FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Dermatitis, PerioralD019557EFO:1001305Dermatitis, Perioral3ClinicalTrials
EczemaD004485HP:0000964Eczema4ATC
ClinicalTrials
Netherton SyndromeD056770Orphanet:634Netherton syndrome1ClinicalTrials
Dermatitis, SeborrheicD012628EFO:1000764seborrheic dermatitis2ClinicalTrials
Dermatitis, AtopicD003876EFO:0000274atopic eczema4ClinicalTrials
DailyMed
Lichen Sclerosus et AtrophicusD018459EFO:1000724lichen disease2ClinicalTrials
VitiligoD014820EFO:0004208Vitiligo2ClinicalTrials
Lichen PlanusD008010EFO:1000726lichen planus3ClinicalTrials

Clinical Data

ClinicalTrials.gov PIMECROLIMUS
The Cochrane Collaboration PIMECROLIMUS

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
810.5 809.4481 5.72 6 158.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 2 3 12 2 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.97 - 5.76 5.76 0 56 0.15

Structural Alerts

There are 11 structural alerts for CHEMBL1200686. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D11 - OTHER DERMATOLOGICAL PREPARATIONS
D11A - OTHER DERMATOLOGICAL PREPARATIONS
D11AH - Agents for dermatitis, excluding corticosteroids
D11AH02 - pimecrolimus

ChemSpider ChemSpider:KASDHRXLYQOAKZ-XDSKOBMDSA-N
DailyMed pimecrolimus
Wikipedia Pimecrolimus

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200686



ChEBI 135888
ChemicalBook CB71086808
DrugBank DB00337
DrugCentral 2168
eMolecules 33507727
FDA SRS 7KYV510875
Guide to Pharmacology 6783
IBM Patent System 0DEAA29165B824CA4CCC7B9E41BBDDFA
LINCS LSM-45937
MolPort MolPort-003-666-749
PubChem 6509979
PubChem: Drugs of the Future 12014634
PubChem: Thomson Pharma 14791428 14767061
Selleck Pimecrolimus
SureChEMBL SCHEMBL438880
ZINC ZINC000085536990

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