Compound Detail
CHEMBL3137309
VENETOCLAX 💊 Approved Drug
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💊 Approved Drug
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL3137309 |
| Name | VENETOCLAX |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | LQBVNQSMGBZMKD-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
48
Targets
121
Activities
4
Assay Types
11
PK Parameters
20
Publications
8
Known Names
20
Indications
1
Mechanisms
Molecular Properties
868.5
MW (Da)
8.66
ALogP
11
HBA
3
HBD
172.0
PSA (Ų)
0.08
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2016 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Apoptosis regulator Bcl-2 inhibitor | INHIBITOR | Apoptosis regulator Bcl-2 | ✓ | ✓ |
Indications
Leukemia, Lymphocytic, Chronic, B-Cell Neoplasms Neoplasms Leukemia, Myeloid Leukemia, Myeloid, Acute Lymphoma, Mantle-Cell Multiple Myeloma Myelodysplastic Syndromes Amyloidosis Blastic Plasmacytoid Dendritic Cell Neoplasm Breast Neoplasms Breast Neoplasms Hematologic Neoplasms Leukemia Leukemia, Biphenotypic, Acute Leukemia, Biphenotypic, Acute Leukemia, Biphenotypic, Acute Leukemia, Lymphoid Leukemia, Monocytic, Acute Leukemia, Myelogenous, Chronic, BCR-ABL Positive
ATC Classification
L01XX52
venetoclax
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 44 meas. best 9.62
EC50 42 meas. best 8.52
Ki 27 meas. best 10.74
Kd 8 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Apoptosis regulator Bcl-2 CHEMBL4860 | Ki | 10.74 | 8.9357 | 0.0 | 7 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | IC50 | 9.62 | 8.3036 | 0.2 | 11 |
| Bcl-2-like protein 1 CHEMBL4625 | Ki | 9.0 | 7.488 | 1.0 | 10 |
| RS4-11 CHEMBL2366159 | IC50 | 8.82 | 7.9943 | 1.5 | 7 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| RS4-11 CHEMBL2366159 | EC50 | 8.52 | 8.31 | 3.0 | 2 |
| Apoptosis regulator Bcl-2 CHEMBL4860 | Kd | 8.51 | 7.4 | 3.1 | 3 |
| Unchecked CHEMBL612545 | Ki | 8.39 | 8.1933 | 4.1 | 3 |
| Unchecked CHEMBL612545 | Kd | 8.35 | 8.305 | 4.5 | 2 |
| MOLT-4 CHEMBL614177 | EC50 | 8.1 | 8.1 | 8.0 | 1 |
| Toledo CHEMBL4296505 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| NCI-H889 CHEMBL2366169 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.57 | 6.11 | 26.7 | 3 |
| Unchecked CHEMBL612545 | EC50 | 7.4 | 5.87 | 40.0 | 6 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 7.28 | 7.0883 | 52.7 | 6 |
| Bcl-2-like protein 1 CHEMBL4625 | Kd | 7.26 | 7.26 | 55.0 | 2 |
| Bcl2-associated agonist of cell death CHEMBL3817 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Bcl2-associated agonist of cell death CHEMBL3817 | Kd | 7.26 | 7.26 | 55.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| EOL1 CHEMBL614489 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| HL-60 CHEMBL383 | EC50 | 7.0 | 6.045 | 100.0 | 2 |
| GDM-1 CHEMBL2366157 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| OCI-AML2 CHEMBL2366220 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| SIG-M5 CHEMBL2366251 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| ML-2 CHEMBL614356 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| MOLM-13 CHEMBL3706572 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| OCI-AML-5 CHEMBL4523576 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| Bcl-2-like protein 2 CHEMBL4677 | Ki | 6.61 | 6.61 | 245.0 | 5 |
| NCI-H211 CHEMBL4523578 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| THP-1 CHEMBL614245 | EC50 | 6.09 | 6.09 | 820.0 | 1 |
| KG-1 CHEMBL612264 | EC50 | 6.07 | 5.995 | 850.0 | 2 |
| NCI-H187 CHEMBL2366276 | EC50 | 6.07 | 6.07 | 850.0 | 1 |
| Kasumi 1 CHEMBL613988 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.93 | 5.93 | 1180.0 | 1 |
| NCI-H345 CHEMBL614195 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Histone-lysine N-methyltransferase NSD3 CHEMBL3108646 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Aspartyl/asparaginyl beta-hydroxylase CHEMBL4680030 | IC50 | 5.89 | 5.84 | 1290.0 | 4 |
| MCF7 CHEMBL387 | EC50 | 5.87 | 5.87 | 1350.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Histone-lysine N-methyltransferase NSD2 CHEMBL3108645 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
| K562 CHEMBL385 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
| NCI-H446 CHEMBL612440 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Histone-lysine N-methyltransferase, H3 lysine-36 specific CHEMBL3588738 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| SKM-1 CHEMBL2366085 | EC50 | 5.6 | 5.6 | 2530.0 | 1 |
| NCI-H1048 CHEMBL1075512 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 5.55 | 5.55 | 2823.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1381.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1467.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 7757.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 8103.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 355.0 | ng/hr | Rattus norvegicus |
| Cmax | 1306.0 | ng/hr | Mus musculus |
| T1/2 | 1.9 | hr | Rattus norvegicus |
| T1/2 | 2.78 | hr | Mus musculus |
| T1/2 | 26.0 | hr | Homo sapiens |
| Tmax | 2.67 | hr | Rattus norvegicus |
| Tmax | 1.67 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine