Compound Detail
CHEMBL443684
NAVITOCLAX 🧪 Phase III
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🧪 Phase III
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL443684 |
| Name | NAVITOCLAX |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | JLYAXFNOILIKPP-KXQOOQHDSA-N |
488
Targets
653
Activities
4
Assay Types
16
PK Parameters
20
Publications
3
Known Names
16
Indications
3
Mechanisms
Molecular Properties
974.6
MW (Da)
8.83
ALogP
11
HBA
2
HBD
128.4
PSA (Ų)
0.10
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Apoptosis regulator Bcl-2 inhibitor | INHIBITOR | Apoptosis regulator Bcl-2 | ✓ | ✓ |
| Apoptosis regulator Bcl-X inhibitor | INHIBITOR | Bcl-2-like protein 1 | ✓ | ✓ |
| Apoptosis regulator Bcl-W inhibitor | INHIBITOR | Bcl-2-like protein 2 | ✓ | ✓ |
Indications
Neoplasms Neoplasms Primary Myelofibrosis Leukemia, Lymphocytic, Chronic, B-Cell Lymphoma, Large B-Cell, Diffuse Lymphoma, Mantle-Cell Ovarian Neoplasms Prostatic Neoplasms, Castration-Resistant Hematologic Neoplasms Leukemia Leukemia, Lymphoid Leukemia, Myeloid, Acute Myelodysplastic Syndromes Precursor Cell Lymphoblastic Leukemia-Lymphoma Precursor Cell Lymphoblastic Leukemia-Lymphoma Small Cell Lung Carcinoma
ATC Classification
L01XX78
navitoclax
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 585 meas. best 8.7
EC50 46 meas. best 8.38
Kd 12 meas. best 9.19
Ki 10 meas. best 10.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 10.36 | 10.36 | 0.0 | 3 |
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 10.26 | 8.82 | 0.1 | 4 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Kd | 9.19 | 7.4 | 0.7 | 6 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | IC50 | 8.7 | 8.2267 | 2.0 | 3 |
| Bcl-2-like protein 1 CHEMBL4625 | Kd | 8.68 | 7.7333 | 2.1 | 3 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 8.48 | 7.93 | 3.3 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 8.38 | 7.6925 | 4.2 | 4 |
| Bcl-xL/Bcl-2-like protein 11 CHEMBL3883287 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| EOL1 CHEMBL614489 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.09 | 7.695 | 8.2 | 2 |
| GDM-1 CHEMBL2366157 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| OCI-AML2 CHEMBL2366220 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| SIG-M5 CHEMBL2366251 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| EOL1 CHEMBL614489 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
| RS4-11 CHEMBL2366159 | EC50 | 7.85 | 7.2533 | 14.0 | 3 |
| MV4-11 CHEMBL613835 | IC50 | 7.8 | 7.8 | 15.9 | 1 |
| NKM-1 CHEMBL2366133 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| ML-2 CHEMBL614356 | IC50 | 7.7 | 7.7 | 19.8 | 1 |
| Bcl-2-like protein 2 CHEMBL4677 | Ki | 7.68 | 7.145 | 21.0 | 2 |
| BV-173 CHEMBL2366145 | IC50 | 7.64 | 7.64 | 23.1 | 1 |
| RS4-11 CHEMBL2366159 | IC50 | 7.59 | 7.48 | 25.9 | 2 |
| NCI-H1963 CHEMBL2366075 | IC50 | 7.58 | 7.58 | 26.6 | 1 |
| Unchecked CHEMBL612545 | Kd | 7.56 | 7.535 | 27.8 | 2 |
| HL-60 CHEMBL383 | IC50 | 7.54 | 7.54 | 29.1 | 1 |
| KY821 CHEMBL2366190 | IC50 | 7.53 | 7.53 | 29.8 | 1 |
| MOLM-13 CHEMBL3706572 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.52 | 6.9286 | 30.0 | 7 |
| Kasumi 1 CHEMBL613988 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
| NCI-H187 CHEMBL2366276 | EC50 | 7.43 | 7.43 | 37.0 | 1 |
| ECC10 CHEMBL2366117 | IC50 | 7.42 | 7.42 | 37.9 | 1 |
| NCI-H187 CHEMBL2366276 | IC50 | 7.42 | 7.42 | 38.4 | 1 |
| NCI-H720 CHEMBL2366105 | IC50 | 7.4 | 7.4 | 40.1 | 1 |
| HL-60 CHEMBL383 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| QIMR-WIL CHEMBL2366337 | IC50 | 7.37 | 7.37 | 42.9 | 1 |
| KG-1 CHEMBL612264 | IC50 | 7.35 | 7.35 | 44.9 | 1 |
| TGW CHEMBL1075600 | IC50 | 7.33 | 7.33 | 46.3 | 1 |
| ATN-1 CHEMBL2366277 | IC50 | 7.33 | 7.33 | 47.3 | 1 |
| ML-2 CHEMBL614356 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
| NCI-H1963 CHEMBL2366075 | EC50 | 7.29 | 7.29 | 51.0 | 1 |
| NCI-H889 CHEMBL2366169 | EC50 | 7.28 | 7.1 | 53.0 | 2 |
| NCI-H1417 CHEMBL2366149 | IC50 | 7.27 | 7.27 | 54.2 | 1 |
| Bcl2-associated agonist of cell death CHEMBL3817 | Kd | 7.26 | 7.26 | 55.0 | 1 |
| RH-18 CHEMBL2366350 | IC50 | 7.22 | 7.22 | 60.5 | 1 |
| SET-2 CHEMBL4523566 | EC50 | 7.22 | 7.22 | 60.0 | 1 |
| EW-18 CHEMBL2366097 | IC50 | 7.17 | 7.17 | 68.4 | 1 |
| Bcl-2-like protein 2 CHEMBL4677 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| HEL CHEMBL613888 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
| NB17 CHEMBL2366064 | IC50 | 7.15 | 7.15 | 71.2 | 1 |
| SK-NEP-1 CHEMBL1075580 | IC50 | 7.14 | 7.14 | 72.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6101.18 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 55261.52 | ng.hr.mL-1 | Mus musculus |
| AUC | 27094.71 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 6442.3 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 9.77 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| F | 20.0 | % | Mus musculus |
| F | 20.0 | % | Canis lupus familiaris |
| F | 20.0 | % | Macaca fascicularis |
| F | 20.0 | % | Rattus norvegicus |
| F | 20.0 | % | Rattus norvegicus |
| F | 48.0 | % | Canis lupus familiaris |
| F | 57.0 | % | Mus musculus |
| T1/2 | 4.0 | hr | Rattus norvegicus |
| T1/2 | 4.0 | hr | Mus musculus |
| T1/2 | 4.0 | hr | Canis lupus familiaris |
| T1/2 | 4.0 | hr | Macaca fascicularis |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine