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

General Information of Drug (ID: DR2147)
Drug Name
Pentamycin
Synonyms
Antibiotic 246; Antibiotic A-246; Cantricin; Cogomycin; Fungchromin (INN); Fungichromin; Lagosin; Lagosin (antibiotic); Moldcidin B; Pentamycin; Pentamycin (JAN); (3R,4S,6S,8S,10R,12R,14R,15R,16R,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,15,16,27-nonahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one; 14-Hydroxyfilipin; 1JB340D58S; 6834-98-6; C35H58O12; CHEBI:31639; CHEMBL2272031; EINECS 229-913-4; NSC 105388; NSC 276732; NSC-105388; NSC-277813; S 232; S-232; UNII-1JB340D58S
Indication Candidiasis [ICD11: 1F23] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 670.8 Topological Polar Surface Area 229
Heavy Atom Count 47 Rotatable Bond Count 5
Hydrogen Bond Donor Count 10 Hydrogen Bond Acceptor Count 12
Cross-matching ID
PubChem CID
5282200
ChEBI ID
CHEBI:31639
CAS Number
6834-98-6
Formula
C35H58O12
Canonical SMILES
CCCCCC(C1C(CC(CC(CC(CC(CC(C(C(C(=CC=CC=CC=CC=CC(C(OC1=O)C)O)C)O)O)O)O)O)O)O)O)O
InChI
1S/C35H58O12/c1-4-5-11-16-29(41)32-30(42)20-26(38)18-24(36)17-25(37)19-27(39)21-31(43)34(45)33(44)22(2)14-12-9-7-6-8-10-13-15-28(40)23(3)47-35(32)46/h6-10,12-15,23-34,36-45H,4-5,11,16-21H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,22-14+/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33-,34-/m1/s1
InChIKey
AGJUUQSLGVCRQA-SWOUQTJZSA-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
Pentamycin M1 PDM007586 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Pentamycin M10 PDM007595 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Pentamycin M11 PDM007596 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Pentamycin M12 PDM007597 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Pentamycin M13 PDM007598 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Pentamycin M14 PDM007599 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Pentamycin M15 PDM007600 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Pentamycin M16 PDM007601 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Pentamycin M17 PDM007602 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Pentamycin M18 PDM007603 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Pentamycin M19 PDM007604 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Pentamycin M2 PDM007587 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Pentamycin M20 PDM007605 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Pentamycin M3 PDM007588 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Pentamycin M4 PDM007589 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Pentamycin M5 PDM007590 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Pentamycin M6 PDM007591 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Pentamycin M7 PDM007592 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Pentamycin M8 PDM007593 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Pentamycin M9 PDM007594 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Ribosomal 23S RNA methyltransferase Erm (erm) DME1156 Corynebacterium amycolatum
A0A5N1AHF6_CORAY
2.1.1.182
[2]
Ribosomal 23S RNA methyltransferase Erm (erm) DME1238 Corynebacterium jeikeium
A0A381KDL2_CORJE
2.1.1.182
[2]
References
1 Pentamycin shows high efficacy against Trichomonas vaginalis. Int J Antimicrob Agents. 2015 Apr;45(4):434-7.
2 High frequency of macrolide resistance mechanisms in clinical isolates of Corynebacterium species. Microb Drug Resist. 2010 Dec;16(4):273-7.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.