JNJ-4355 |
JNJ-4355 : Inhibitor of MCL1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| MCL1 |
|
Inhibitor
up to 10 uM
Selectivity
In Vitro Selectivity Assessment
Potency Assay Off-Target:
Shows good selectivity vs the closest related
protein hBCL2 (Ki > 3.75 µM) and other family members ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
Cell activity was tested with various cell lines (AC50 = half-maximal activity concentration). Two d ...
Potency Cellular
In Vitro
MCL1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? Yes
DOI Reference: 10.1158/1538-7445.AM2022-2133
In Vivo Validations
Mouse
Dose: 1 mg/Kg
Route of delivery:
Intravenous
Target engagement assay:
JNJ-4355 disrupts MCL1 complexes in MOLM-13 (AML) human
xenograft.
DOI Reference: 10.1158/1538-7445.AM2022-2133
Negative Control Compounds
JNJ-78732576
Notes: JNJ-78732576: HTRF assay Ki = 115 nM (> 7000 times); Caspase Glo MOLP-8 assay: AC50 > 30 µM; Caspase Glo KMS12PE AC50 > 30 µM; Caspase Glo KMS12PE KO AC50 > 10 µM
SMILES:
Cc1c2c3c(ccc2n(CCCOc2cc(CCc4cc(CSCc5c3c(C)n(CCOCCOC)n5)nn4C)cc3c(c(ccc23)[Cl])F)c1C(O)=O)[Cl]
Chemical Information
| Molecular Formula | C40H43ClFN5O5S |
| SMILEs | COCCOCCn1nc(C)c2c1CSCc1cc(n(C)n1)CCc1cc(c3ccc(F)cc3c1)OCCCn1c(C(=O)O)c(C)c3c-2c(Cl)ccc31 |
| InChI | InChI=1S/C40H43ClFN5O5S/c1-24-36-33-11-10-32(41)38(36)37-25(2)43-47(13-15-51-17-16-50-4)34(37)23-53-22-29-21-30(45(3)44-29)8-6-26-18-27-20-28(42)7-9-31(27)35(19-26)52-14-5-12-46(33)39(24)40(48)49/h7,9-11,18-21H,5-6,8,12-17,22-23H2,1-4H3,(H,48,49) |
| Molecular weight | 759.27 Da |
| AlogP | 0.0 |
| HBond acceptors | 10 |
| HBond donors | 1 |
| Atoms | 96 |
| PAINS * | Yes |
* This is an automated alert only, and may not necessarily indicate an issue with this probe. ( Learn more about PAINS )