Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0340)
Drug Name
Clindamycin
Synonyms
Antirobe; Chlolincocin; ClindaDerm; Clindamicina; Clindamycine; Clindamycinum; Clinimycin; Dalacin C; Dalacine; Klimicin; Klindan 300; Sobelin; U 21251; U-21251; clindamycin; 18323-44-9; 3U02EL437C; 7(S)-Chloro-7-deoxylincomycin; 7-CDL; 7-Chloro-7-deoxylincomycin; 7-Chlorolincomycin; 7-Deoxy-7(S)-chlorolincomycin; C18H33ClN2O5S; EINECS 242-209-1; HSDB 3037; UNII-3U02EL437C; methyl 7-chloro-6,7,8-trideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-L-threo-alpha-D-galacto-octopyranoside
Indication Acne vulgaris [ICD11: ED80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 425 Topological Polar Surface Area 128
Heavy Atom Count 27 Rotatable Bond Count 7
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
446598
CAS Number
18323-44-9
TTD Drug ID
D0R0ZL
Formula
C18H33ClN2O5S
Canonical SMILES
CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl
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
InChIKey
KDLRVYVGXIQJDK-AWPVFWJPSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Clindamycin sulfoxide DM006073
11662169
Unclear 1 [3]
N-desmethylclindamycin DM006074
139595202
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006539 Clindamycin Clindamycin sulfoxide Unclear CYP3A4 ... [3]
MR006540 Clindamycin N-desmethylclindamycin Unclear CYP3A4 [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-lactamase (blaB) DME1033 Edwardsiella tarda
A4LA84_EDWTA
3.5.2.6
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[3]
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [4]
Unclear metabolic mechanism (DME-unclear) DME1448 Porphyromonas gingivalis Not Available Not Available [4]
References
1 Clindamycin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Comparison of antimicrobial susceptibility, beta-lactamase production, plasmid analysis and serum bactericidal activity in Edwardsiella tarda, E. ictaluri and E. hoshinae. J Med Microbiol. 1993 Oct;39(4):273-81.
3 In vitro metabolism of clindamycin in human liver and intestinal microsomes. Drug Metab Dispos. 2003 Jul;31(7):878-87.
4 Antimicrobial susceptibility and beta-lactamase production of anaerobic and aerobic bacteria isolated from pus specimens from orofacial infections. J Chemother. 2007 Oct;19(5):495-9.

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