CLINDAMYCIN

Search structure
Synonyms:
Status: Approved (1970)
Entry Type: Small molecule
Molecule Category: Parent
ATC: D10AF01
UNII: 3U02EL437C

Structure
InChI Key KDLRVYVGXIQJDK-AWPVFWJPSA-N
Smile CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
InChI
InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H33ClN2O5S
Molecular Weight 424.99
AlogP 0.39
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 102.26
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Experimental and Estimated Properties

Property Name Value Unit Method
log P (octanol-water) 2.16 - EXP
Henry's Law Constant 2.89E-22 atm-m3/mole EST
Atmospheric OH Rate Constant 2.63E-10 cm3/molecule-sec EST
Water Solubility 30.6 mg/L EST
Vapor Pressure 5.28E-17 mm Hg EST

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 20

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bacterial Infections 4 D001424 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Staphylococcal Infections 3 D013203 ClinicalTrials
Nasal Obstruction 3 D015508 ClinicalTrials
Chorioretinitis 3 D002825 ClinicalTrials
Vaginosis, Bacterial 3 D016585 ClinicalTrials
Skin Diseases 3 D012871 ClinicalTrials
Malaria 3 D008288 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Kidney Calculi 3 D007669 ClinicalTrials
Pneumonia, Pneumocystis 3 D011020 ClinicalTrials
Candidiasis, Vulvovaginal 3 D002181 ClinicalTrials
Prediabetic State 2 D011236 ClinicalTrials
Periapical Periodontitis 2 D010485 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Sepsis 1 D018805 ClinicalTrials
Vaginitis 0 D014627 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt
Salt
Salt

Cross References

Resources Reference
CAS NUMBER 18323-44-9
ChEMBL CHEMBL1753
DrugBank DB01190
DrugCentral 678
EPA CompTox DTXSID2022836
FDA SRS 3U02EL437C
Guide to Pharmacology 10607
PDB CLY
PubChem 446598
SureChEMBL SCHEMBL3154
ZINC ZINC000004038341
CONTENTS