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

General Information of Drug (ID: DR5843)
Drug Name
Retapamulin
Synonyms Altabax; Altargo; SB 275833; Altabax (Glaxo); Altabax (TN); Altargo (TN); Retapamulin (USAN/INN)
Indication Impetigo [ICD11: 1B72] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 517.799 Topological Polar Surface Area 92.1
Heavy Atom Count 36 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
6918462
ChEBI ID
CHEBI:166679
CAS Number
224452-66-8
TTD Drug ID
D03UQM
Formula
C30H47NO4S
Canonical SMILES
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@H]5CC[C@@H](C4)N5C)C
InChI
InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1
InChIKey
STZYTFJPGGDRJD-FJJJPKKESA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Retapamulin M1 PDM014180 N. A. Hydrolysis - Hydrolysis of carboxylic acid ester 0 Human
Retapamulin M2 PDM014181 N. A. Hydrolysis - Hydrolysis of carboxylic acid ester 0 Human
Retapamulin M3 PDM014182 N. A. Conjugation - Alkyl-OH-glucuronidation 0 Human
Retapamulin M4 PDM014183 N. A. Conjugation - Sulfation of secondary alcohol 0 Human
Retapamulin M5 PDM014184 N. A. Conjugation - Thioether S-methylation 0 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 022055.
2 Structural characterization of the homotropic cooperative binding of azamulin to human cytochrome P450 3A5

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