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Compound Detail

CHEMBL3975308

NUVISERTIB
🧪 Phase II
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🧪 Phase II
CC(C)(O)[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3975308
Name NUVISERTIB
Phase Phase II
Structure Type MOL
InChI Key XRNVABDYQLHODA-JCNLHEQBSA-N

Known Names

Nuvisertib SGI-9481 SGI9481 Tp-3654 TP3654
3
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
1
Indications

Molecular Properties

418.5
MW (Da)
5.16
ALogP
5
HBA
2
HBD
62.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -sertib

Extended Properties

Molecular Formula C22H25F3N4O
MW 418.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.18

Indications

Neoplasms

Activity Summary

IC50 8 meas. best 9.0
Ki 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
 IC50 9.0 8.8833 1.0 6
Serine/threonine-protein kinase pim-1
CHEMBL2147
 Ki 8.3 8.3 5.0 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
 IC50 7.38 7.38 42.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
 IC50 6.62 6.62 239.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 IC50 = 1.0 nM 9.0 Kinase-Glo Assay: These assays are set up in duplicate 50 ul volumes in white, f... -
Serine/threonine-protein kinase pim-1 IC50 = 1.0 nM 9.0 Kinase-Glo Assay: These assays are set up in duplicate 50 ul volumes in white, f... -
Serine/threonine-protein kinase pim-1 IC50 = 1.0 nM 9.0 Pim-1 Kinase Inhibition Assay: One illustrative manner in which Pim-1 kinase act... -
Serine/threonine-protein kinase pim-1 IC50 = 1.0 nM 9.0 Kinase Inhibition Assay: One illustrative manner in which Pim-1 kinase activity ... -
Serine/threonine-protein kinase pim-1 IC50 = 1.0 nM 9.0 Pim-1 Kinase Inhibition Assay: One illustrative manner in which Pim-1 kinase act... -
Serine/threonine-protein kinase pim-1 IC50 = 5.0 nM 8.3 Inhibition of PIM1 (unknown origin) 38164076
Serine/threonine-protein kinase pim-1 Ki = 5.0 nM 8.3 Inhibition of PIM1 (unknown origin) up to 120 mins by Michaelis-Menten plot anal... 30954777
Serine/threonine-protein kinase pim-3 IC50 = 42.0 nM 7.38 Inhibition of PIM3 (unknown origin) 38164076
Serine/threonine-protein kinase pim-2 IC50 = 239.0 nM 6.62 Inhibition of PIM2 (unknown origin) 38164076

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303304 HEK-293T 9
- 10.6019/CHEMBL5303304 U2OS 9
- 10.6019/CHEMBL5303304 Fibroblast 8
30954777 10.1016/j.ejmech.2019.03.050 Unchecked 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
38164076 10.1021/acs.jmedchem.3c01802 Serine/threonine-protein kinase pim-3 1
30954777 10.1016/j.ejmech.2019.03.050 Serine/threonine-protein kinase pim-1 1
38164076 10.1021/acs.jmedchem.3c01802 Serine/threonine-protein kinase pim-2 1
38164076 10.1021/acs.jmedchem.3c01802 Serine/threonine-protein kinase pim-1 1
- 10.6019/CHEMBL5308504 Bromodomain-containing protein 4 1
- 10.6019/CHEMBL5308504 Transcription intermediary factor 1-alpha 1
- 10.6019/CHEMBL5308504 Peregrin 1
- 10.6019/CHEMBL5308504 Fibroblast growth factor receptor 3 1
- 10.6019/CHEMBL5308504 Tyrosine-protein kinase ABL1 1
- 10.6019/CHEMBL5308504 Aurora kinase A 1
- 10.6019/CHEMBL5308504 Mitogen-activated protein kinase 1 1
- 10.6019/CHEMBL5308504 Glycogen synthase kinase-3 beta 1
- 10.6019/CHEMBL5308504 Cyclin-dependent kinase 2 1
- 10.6019/CHEMBL5308504 Casein kinase I isoform delta 1
- 10.6019/EOS300033 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine