Compound Detail
CHEMBL1117
IDARUBICIN 💊 Approved Drug
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💊 Approved Drug
CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
Basic Information
| ChEMBL ID | CHEMBL1117 |
| Name | IDARUBICIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XDXDZDZNSLXDNA-TZNDIEGXSA-N |
| Therapeutic | ✓ Yes |
13
Targets
42
Activities
1
Assay Types
29
PK Parameters
20
Publications
3
Known Names
20
Indications
Molecular Properties
497.5
MW (Da)
1.02
ALogP
10
HBA
5
HBD
176.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1990 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Neoplasms Anemia, Refractory Anemia, Refractory, with Excess of Blasts Leukemia Leukemia, Erythroblastic, Acute Leukemia, Erythroblastic, Acute Leukemia, Megakaryoblastic, Acute Leukemia, Monocytic, Acute Leukemia, Myeloid, Acute Leukemia, Myeloid, Acute Leukemia, Myelomonocytic, Acute Leukemia, Myelomonocytic, Chronic Leukemia, Promyelocytic, Acute Lymphoma Lymphoma, Non-Hodgkin Multiple Myeloma Myelodysplastic Syndromes Myeloproliferative Disorders Myeloproliferative Disorders Neoplasms, Plasma Cell
ATC Classification
L01DB06
idarubicin
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 42 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.15 | 7.4779 | 0.7 | 14 |
| K562 CHEMBL385 | IC50 | 8.7 | 7.6817 | 2.0 | 6 |
| DNA topoisomerase 2-alpha CHEMBL1806 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| U2OS CHEMBL615023 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| MEL-JUSO CHEMBL1075501 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 5.765 | 700.0 | 4 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.64 | 5.57 | 2300.0 | 2 |
| Mycolicibacterium smegmatis CHEMBL613088 | IC50 | 5.44 | 5.3 | 3610.0 | 6 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Son of sevenless homolog 1 CHEMBL2079846 | IC50 | 5.22 | 5.16 | 6000.0 | 2 |
| Plasmodium berghei CHEMBL612653 | IC50 | 5.18 | 5.18 | 6620.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| ALB_CHANGE | - | - | Rattus norvegicus |
| ALB_CHANGE | - | - | Rattus norvegicus |
| AUC | 305.0 | ug.ml-1 | Canis lupus familiaris |
| CHOL_CHANGE | - | - | Rattus norvegicus |
| CHOL_CHANGE | - | - | Rattus norvegicus |
| CL | 24.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 24.0 | mL.min-1.kg-1 | Homo sapiens |
| Clp | 711.0 | ml.min-1 | Canis lupus familiaris |
| Clp | 6.0 | ml.min-1 | Canis lupus familiaris |
| F | 28.0 | % | Homo sapiens |
| Fu | 0.076 | - | Homo sapiens |
| Incidence | - | - | Rattus norvegicus |
| Incidence | - | - | Rattus norvegicus |
| Incidence | - | - | Rattus norvegicus |
| Incidence | - | - | Rattus norvegicus |
| Mortality | - | - | Rattus norvegicus |
| MRT | 26.0 | hr | Homo sapiens |
| PHOSLPD_CHANGE | - | - | Rattus norvegicus |
| PHOSLPD_CHANGE | - | - | Rattus norvegicus |
| T1/2 | 16.0 | hr | Homo sapiens |
| T1/2 | 0.1 | hr | Canis lupus familiaris |
| T1/2 | 18.9 | hr | Canis lupus familiaris |
| TRIG_CHANGE | - | - | Rattus norvegicus |
| TRIG_CHANGE | - | - | Rattus norvegicus |
| Vd | 34.5 | L.kg-1 | Canis lupus familiaris |
| WBC_CHANGE | 35.0 | % | Rattus norvegicus |
| WBC_CHANGE | 50.0 | % | Rattus norvegicus |
| WBC_CHANGE | 35.0 | % | Rattus norvegicus |
| WBC_CHANGE | 55.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine