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Compound Detail

CHEMBL1658

RETAPAMULIN
💊 Approved Drug
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💊 Approved Drug
C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@H]3CC[C@@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL1658
Name RETAPAMULIN
Phase Approved
Structure Type MOL
InChI Key STZYTFJPGGDRJD-NHUWBDDWSA-N
Therapeutic ✓ Yes

Known Names

Altabax Altargo NSC-759885 Retapamulin Retapamulina Retapamuline Sb 275833 SB-275833 SB275833
2
Targets
2
Activities
2
Assay Types
5
PK Parameters
20
Publications
9
Known Names
4
Indications
2
Mechanisms

Molecular Properties

517.8
MW (Da)
5.25
ALogP
6
HBA
1
HBD
66.8
PSA (Ų)
0.40
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2007
Availability Discontinued
Chirality Single Enantiomer

Routes of Administration

Topical

Flags

Natural Product
USAN Stem -mulin
USAN Year 2004

Extended Properties

Molecular Formula C30H47NO4S
MW 517.78
Aromatic Rings 0
Heavy Atoms 36
NP-Likeness 1.63

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
70S ribosome inhibitor INHIBITOR 70S ribosome
70S ribosome inhibitor INHIBITOR 70S ribosome

Indications

Impetigo Staphylococcal Skin Infections Infections Staphylococcal Infections

ATC Classification

D06AX13
retapamulin
Level 1: DERMATOLOGICALS
Level 2: ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE

Activity Summary

EC50 1 meas. best 7.04
Kd 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
Kd 8.7 8.7 2.0 1
Wolbachia
CHEMBL4630676
EC50 7.04 7.04 91.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 41.0 mL.min-1.g-1 Mus musculus
CL 754.97 mL.min-1.g-1 Rattus norvegicus
Fu 0.154 - Mus musculus
T1/2 0.05483 hr Rattus norvegicus
T1/2 2.0 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17562806 10.1128/aac.00475-07 Staphylococcus aureus 25
17404009 10.1128/aac.01066-06 Staphylococcus aureus 18
18838584 10.1128/aac.00915-08 Staphylococcus aureus 13
18725451 10.1128/aac.00399-08 Staphylococcus aureus 11
36462445 10.1016/j.ejmech.2022.114960 ADMET 10
18725451 10.1128/aac.00399-08 NON-PROTEIN TARGET 9
37051724 10.1021/acs.jmedchem.2c02135 Staphylococcus aureus 8
18725451 10.1128/aac.00399-08 Staphylococcus 8
37531743 10.1016/j.ejmech.2023.115653 Staphylococcus aureus 7
35472849 10.1016/j.ejmech.2022.114403 Staphylococcus aureus 6
18725451 10.1128/aac.00399-08 Streptococcus pyogenes 5
33325700 10.1021/acs.jmedchem.0c01328 Staphylococcus aureus 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
30730745 10.1021/acs.jmedchem.8b01854 ADMET 3
18725451 10.1128/aac.00399-08 Streptococcus agalactiae 3
36462445 10.1016/j.ejmech.2022.114960 Staphylococcus aureus 3
18725451 10.1128/aac.00399-08 Enterococcus 3
33325700 10.1021/acs.jmedchem.0c01328 Caco-2 3
35468515 10.1016/j.ejmech.2022.114398 Staphylococcus aureus 3
24874438 10.1021/jm500312x Staphylococcus aureus 3

Data from ChEMBL 36 via Core Engine