Compound Detail
CHEMBL36506
NOVOBIOCIN 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Basic Information
| ChEMBL ID | CHEMBL36506 |
| Name | NOVOBIOCIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | YJQPYGGHQPGBLI-KGSXXDOSSA-N |
| Therapeutic | ✓ Yes |
25
Targets
209
Activities
4
Assay Types
2
PK Parameters
20
Publications
5
Known Names
1
Indications
Molecular Properties
612.6
MW (Da)
3.63
ALogP
11
HBA
5
HBD
200.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1964 |
| Availability | Withdrawn |
| Chirality | Single Enantiomer |
Indications
Osteomyelitis
Activity Summary
IC50 183 meas. best 9.19
Kd 11 meas. best 8.15
Ki 8 meas. best 8.15
EC50 7 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA gyrase CHEMBL3038482 | IC50 | 9.19 | 7.6023 | 0.7 | 13 |
| Unchecked CHEMBL612545 | IC50 | 8.66 | 6.0288 | 2.2 | 67 |
| DNA gyrase CHEMBL2094139 | IC50 | 8.35 | 7.0246 | 4.5 | 13 |
| DNA gyrase subunit B CHEMBL1826 | Kd | 8.15 | 7.85 | 7.0 | 2 |
| DNA gyrase subunit B CHEMBL1826 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| DNA gyrase CHEMBL3038482 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.85 | 6.3433 | 14.0 | 3 |
| DNA gyrase subunit A/DNA gyrase subunit B CHEMBL3430898 | IC50 | 7.82 | 7.393 | 15.0 | 10 |
| Unchecked CHEMBL612545 | Kd | 7.72 | 7.6067 | 19.0 | 3 |
| DNA gyrase subunit B CHEMBL1075021 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| DNA gyrase subunit B CHEMBL1921666 | IC50 | 7.4 | 7.27 | 40.0 | 4 |
| DNA gyrase subunit B CHEMBL3085613 | IC50 | 7.34 | 6.84 | 46.0 | 6 |
| DNA gyrase subunit B CHEMBL6059 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| SH-SY5Y CHEMBL614910 | EC50 | 7.32 | 7.32 | 48.4 | 1 |
| Staphylococcus aureus CHEMBL352 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| DNA gyrase subunit B CHEMBL1826 | IC50 | 6.81 | 6.764 | 154.0 | 5 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
| ParE CHEMBL1075022 | IC50 | 5.69 | 5.69 | 2030.0 | 1 |
| Microtubule-associated proteins 1A/1B light chain 3A CHEMBL4879518 | Kd | 5.12 | 5.12 | 7500.0 | 1 |
| DNA topoisomerase 4 subunit B CHEMBL2150841 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Microtubule-associated proteins 1A/1B light chain 3A CHEMBL4879518 | Ki | 5.06 | 5.06 | 8800.0 | 1 |
| Albumin CHEMBL3253 | Kd | 4.92 | 4.92 | 12000.0 | 1 |
| Topoisomerase IV CHEMBL3038508 | IC50 | 4.88 | 4.6171 | 13265.0 | 7 |
| Nonstructural protein 3 CHEMBL4523954 | IC50 | 4.85 | 4.85 | 14200.0 | 1 |
| Microtubule-associated proteins 1A/1B light chain 3B CHEMBL4879514 | Kd | 4.76 | 4.76 | 17400.0 | 1 |
| Microtubule-associated proteins 1A/1B light chain 3B CHEMBL4879514 | Ki | 4.71 | 4.71 | 19300.0 | 1 |
| DNA polymerase theta CHEMBL6025 | IC50 | 4.62 | 4.502 | 24000.0 | 5 |
| MDA-MB-436 CHEMBL4296465 | IC50 | 4.61 | 4.61 | 24300.0 | 1 |
| Nonstructural protein 3 CHEMBL4523954 | EC50 | 4.61 | 4.61 | 24800.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.6 | 4.355 | 25000.0 | 4 |
| Microtubule-associated proteins 1A/1B light chain 3A CHEMBL4879518 | IC50 | 4.37 | 4.37 | 42900.0 | 1 |
| Zika virus CHEMBL4296612 | EC50 | 4.21 | 4.21 | 62200.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.08 | 4.08 | 82430.0 | 1 |
| TERT-RPE1 CHEMBL615013 | IC50 | 4.07 | 4.04 | 86000.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Mus musculus |
| t1/2 | - | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine