Compound Detail
CHEMBL1201112
NELARABINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1201112 |
| Name | NELARABINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | IXOXBSCIXZEQEQ-UHTZMRCNSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL1201369 |
3
Targets
4
Activities
1
Assay Types
4
PK Parameters
18
Publications
13
Known Names
16
Indications
1
Mechanisms
Molecular Properties
297.3
MW (Da)
-1.97
ALogP
10
HBA
4
HBD
148.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2005 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| DNA inhibitor | INHIBITOR | DNA | ✓ | ✓ |
Indications
Leukemia-Lymphoma, Adult T-Cell Neoplasms Precursor T-Cell Lymphoblastic Leukemia-Lymphoma Precursor T-Cell Lymphoblastic Leukemia-Lymphoma Leukemia Precursor Cell Lymphoblastic Leukemia-Lymphoma Precursor Cell Lymphoblastic Leukemia-Lymphoma Leukemia, Biphenotypic, Acute Lymphoma Mycosis Fungoides Sezary Syndrome Leukemia, Lymphoid Multiple Myeloma Myelodysplastic Syndromes Myeloproliferative Disorders Neoplasms, Plasma Cell
ATC Classification
L01BB07
nelarabine
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Drug Warnings
Black Box Warning
neurotoxicity
Activity Summary
IC50 4 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.17 | 7.17 | 67.0 | 2 |
| CCRF-HSB-2 CHEMBL614541 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 81.0 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.8 | - | Homo sapiens |
| MRT | 1.0 | hr | Homo sapiens |
| T1/2 | 0.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-HSB-2 | IC50 | = | 67.0 | nM | 7.17 | Antiproliferative activity against human CCRF-HSB-2 cells assessed as cell growt... | 33540357 |
| Jurkat | IC50 | = | 67.0 | nM | 7.17 | Antiproliferative activity against human Jurkat cells assessed as cell growth in... | 33540357 |
| Unchecked | IC50 | = | 67.0 | nM | 7.17 | Antiproliferative activity against human PER-255 cells assessed as cell growth i... | 33540357 |
| Unchecked | IC50 | = | 67.0 | nM | 7.17 | Antiproliferative activity against human ALL-SIL cells assessed as cell growth i... | 33540357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 33540357 | 10.1016/j.ejmech.2021.113218 | Unchecked | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 33540357 | 10.1016/j.ejmech.2021.113218 | Jurkat | 1 |
| 33540357 | 10.1016/j.ejmech.2021.113218 | CCRF-HSB-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 4 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 3 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 2 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | Bile salt export pump | 1 |
| 18426954 | 10.1124/dmd.108.020479 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine