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Compound Detail

CHEMBL4297623

ELTANEXOR
🧪 Phase II
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🧪 Phase II
NC(=O)/C(=C/n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cncnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4297623
Name ELTANEXOR
Phase Phase II
Structure Type MOL
InChI Key JFBAVWVBLRIWHM-AWNIVKPZSA-N

Known Names

Eltanexor Kpt-8602
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
5
Publications
2
Known Names
4
Indications

Molecular Properties

428.3
MW (Da)
3.26
ALogP
6
HBA
1
HBD
99.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -nexor
USAN Year 2018

Extended Properties

Molecular Formula C17H10F6N6O
MW 428.30
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.97

Indications

Leukemia, Myeloid Leukemia, Myeloid, Acute Myelodysplastic Syndromes Neoplasms

Activity Summary

IC50 9 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MM1.S
CHEMBL4296471
 IC50 7.19 7.19 64.0 1
NAMALVA
CHEMBL614049
 IC50 7.03 7.03 93.8 1
YT
CHEMBL2366114
 IC50 6.99 6.99 103.1 1
Unchecked
CHEMBL612545
 IC50 6.88 6.606 130.3 5
H9
CHEMBL614806
 IC50 6.86 6.86 139.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MM1.S IC50 = 64.0 nM 7.19 Antiproliferative activity against human MM1.S cells assessed as inhibition of c... 35367710
NAMALVA IC50 = 93.8 nM 7.03 Antiproliferative activity against human NAMALVA cells assessed as inhibition of... 35367710
YT IC50 = 103.1 nM 6.99 Antiproliferative activity against human YT cells assessed as inhibition of cell... 35367710
Unchecked IC50 = 130.3 nM 6.88 Antiproliferative activity against human MINO cells assessed as inhibition of ce... 35367710
H9 IC50 = 139.4 nM 6.86 Antiproliferative activity against human H9 cells assessed as inhibition of cell... 35367710
Unchecked IC50 = 261.2 nM 6.58 Antiproliferative activity against human Rael cells assessed as inhibition of ce... 35367710
Unchecked IC50 = 283.4 nM 6.55 Antiproliferative activity against human Mutu-1 cells assessed as inhibition of ... 35367710
Unchecked IC50 = 286.7 nM 6.54 Antiproliferative activity against human VAL cells assessed as inhibition of cel... 35367710
Unchecked IC50 = 333.5 nM 6.48 Antiproliferative activity against human JB-6 cells assessed as inhibition of ce... 35367710

Literature References

PubMed DOI Target Context # Activities
35367710 10.1016/j.ejmech.2022.114257 Unchecked 5
35367710 10.1016/j.ejmech.2022.114257 MM1.S 1
35367710 10.1016/j.ejmech.2022.114257 NAMALVA 1
35367710 10.1016/j.ejmech.2022.114257 H9 1
35367710 10.1016/j.ejmech.2022.114257 YT 1

Data from ChEMBL 36 via Core Engine