Compound Detail
CHEMBL1237072
DIRITHROMYCIN 💊 Approved Drug
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💊 Approved Drug
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O
Basic Information
| ChEMBL ID | CHEMBL1237072 |
| Name | DIRITHROMYCIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WLOHNSSYAXHWNR-DWIOZXRMSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL1201397 |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
7
Known Names
2
Indications
1
Mechanisms
Molecular Properties
835.1
MW (Da)
2.20
ALogP
16
HBA
5
HBD
196.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1995 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bacterial 70S ribosome inhibitor | INHIBITOR | Bacterial 70S ribosome | ✓ | ✓ |
Indications
Bacterial Infections Osteomyelitis
ATC Classification
J01FA13
dirithromycin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 6 meas. best 5.26
EC50 1 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus CHEMBL612313 | EC50 | 6.93 | 6.93 | 117.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.26 | 4.7383 | 5520.0 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus | EC50 | = | 117.0 | nM | 6.93 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 5520.0 | nM | 5.26 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 8020.0 | nM | 5.1 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 22580.0 | nM | 4.65 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 25140.0 | nM | 4.6 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| Unchecked | IC50 | = | 33080.0 | nM | 4.48 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 45400.0 | nM | 4.34 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
Literature References
Data from ChEMBL 36 via Core Engine