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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1753
CHEMBL1753
Compound Name CLINDAMYCIN
ChEMBL Synonyms DALACIN C | U-21,251 | CHLORODEOXYLINCOMYCIN | CHLOROLINCOMYCIN | Cleocin | CLINDAMYCIN | CLEOCIN HYDROCHLORIDE | Cleocin T | Sobelin | Antirobe | CLEOCIN | CLINDAMYCIN HYDROCHLORIDE | U-25179E
Max Phase 4 (Approved)
Trade Names Sobelin | CLEOCIN HYDROCHLORIDE | DALACIN C | Antirobe | Cleocin T | CLEOCIN | CLINDAMYCIN HYDROCHLORIDE | Cleocin
Molecular Formula C18H33ClN2O5S

Additional synonyms for CHEMBL1753 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H]( ...
Download SMILES
Standard InChI InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12( ...
Download InChI
Standard InChI Key KDLRVYVGXIQJDK-AWPVFWJPSA-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


CHEMBL1753

Molecule Features

CHEMBL1753 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Bacterial 70S ribosome inhibitor Bacterial 70S ribosome DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Periapical PeriodontitisD010485EFO:1001391Periapical Periodontitis2ClinicalTrials
Prediabetic StateD011236EFO:1001121prediabetes syndrome2ClinicalTrials
RosaceaD012393EFO:1000760rosacea2ClinicalTrials
Vaginosis, BacterialD016585EFO:0003932bacterial vaginosis3ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
PainD010146EFO:0003843pain3ClinicalTrials
Kidney CalculiD007669EFO:0003845kidney stone3ClinicalTrials
OsteomyelitisD010019EFO:0003102osteomyelitis2ClinicalTrials
ClinicalTrials
Staphylococcal InfectionsD013203EFO:0005681Staphylococcus aureus infection3ClinicalTrials
Acne VulgarisD000152EFO:0003894acne3ClinicalTrials
ClinicalTrials
MalariaD008288EFO:0001068malaria3ClinicalTrials
SepsisD018805HP:0100806sepsis1ClinicalTrials
Skin DiseasesD012871EFO:0000701skin disease3ClinicalTrials
Toxoplasmosis, OcularD014126EFO:0007399ocular toxoplasmosis3ClinicalTrials
VaginitisD014627EFO:0005757vaginal inflammation0ClinicalTrials
InfectionD007239EFO:0000544infection3ClinicalTrials

Clinical Data

ClinicalTrials.gov CLINDAMYCIN
The Cochrane Collaboration CLINDAMYCIN

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
425 424.1799 0.39 7 102.26 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.87 8.73 1.75 .7 0 27 0.44

Structural Alerts

There are 7 structural alerts for CHEMBL1753. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01F - MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
J01FF - Lincosamides
J01FF01 - clindamycin

D - DERMATOLOGICALS
D10 - ANTI-ACNE PREPARATIONS
D10A - ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AF - Antiinfectives for treatment of acne
D10AF01 - clindamycin

G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AA - Antibiotics
G01AA10 - clindamycin

D - DERMATOLOGICALS
D10 - ANTI-ACNE PREPARATIONS
D10A - ANTI-ACNE PREPARATIONS FOR TOPICAL USE
D10AF - Antiinfectives for treatment of acne
D10AF51 - clindamycin, combinations

ChemSpider ChemSpider:KDLRVYVGXIQJDK-AWPVFWJPSA-N
DailyMed clindamycin hydrochloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1753



ACToR 18323-44-9
Brenda 6919
ChemicalBook CB4399999
DrugBank DB01190
DrugCentral 678
eMolecules 35875844
EPA CompTox Dashboard DTXSID2022836
FDA SRS 3U02EL437C
IBM Patent System B6AA49B632121C08FACEE9890238C1A9
MolPort MolPort-006-122-574
Nikkaji J9.300I
PDBe CLY
PubChem 446598
PubChem: Thomson Pharma 14880545 14905082
SureChEMBL SCHEMBL3154
ZINC ZINC000004038341

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