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Compound Detail

CHEMBL2137530

SERDEMETAN
🧪 Phase II
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🧪 Phase II
c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2137530
Name SERDEMETAN
Phase Phase II
Structure Type MOL
InChI Key CEGSUKYESLWKJP-UHFFFAOYSA-N

Known Names

JNJ-26854165 Serdemetan
437
Targets
480
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names
1
Indications

Molecular Properties

328.4
MW (Da)
4.96
ALogP
3
HBA
3
HBD
52.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -demetan

Extended Properties

Molecular Formula C21H20N4
MW 328.42
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.84

Indications

Neoplasms

Activity Summary

IC50 480 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
KU-19-19
CHEMBL1075483
 IC50 6.03 6.03 932.4 1
H4
CHEMBL1075452
 IC50 5.97 5.97 1067.1 1
KGN
CHEMBL2366154
 IC50 5.79 5.79 1620.5 1
786-0
CHEMBL613102
 IC50 5.76 5.76 1729.9 1
769-P
CHEMBL1075385
 IC50 5.74 5.74 1822.2 1
K5
CHEMBL2366152
 IC50 5.7 5.7 2016.2 1
KOSC-2
CHEMBL1075481
 IC50 5.69 5.69 2032.2 1
MLMA
CHEMBL2366211
 IC50 5.64 5.64 2287.0 1
EW-7
CHEMBL2366112
 IC50 5.63 5.63 2326.9 1
SW1088
CHEMBL614243
 IC50 5.55 5.55 2806.5 1
MC-IXC
CHEMBL1075495
 IC50 5.54 5.54 2877.9 1
IGR-1
CHEMBL1075479
 IC50 5.51 5.51 3120.3 1
NCI-H2052
CHEMBL1075531
 IC50 5.51 5.51 3081.6 1
DSH1
CHEMBL2366079
 IC50 5.49 5.49 3243.0 1
SK-MEL3
CHEMBL614920
 IC50 5.48 5.48 3312.1 1
PA-1
CHEMBL614949
 IC50 5.48 5.48 3300.6 1
SW900
CHEMBL1075597
 IC50 5.46 5.46 3482.6 1
ES1
CHEMBL2366146
 IC50 5.45 5.45 3529.0 1
CAKI-1
CHEMBL614067
 IC50 5.45 5.45 3527.4 1
SK-N-DZ
CHEMBL1075579
 IC50 5.44 5.44 3625.9 1
ES8
CHEMBL2366069
 IC50 5.43 5.43 3697.0 1
RH-1
CHEMBL2366078
 IC50 5.43 5.43 3684.6 1
LNCaP-Clone-FGC
CHEMBL2366172
 IC50 5.42 5.42 3835.4 1
NEC8
CHEMBL2366340
 IC50 5.42 5.42 3769.8 1
U-118-MG
CHEMBL1075602
 IC50 5.4 5.4 4010.7 1
HCE-4
CHEMBL2366207
 IC50 5.4 5.4 3980.7 1
GI-ME-N
CHEMBL2366074
 IC50 5.39 5.39 4088.0 1
LB1047-RCC
CHEMBL2366136
 IC50 5.38 5.38 4161.4 1
HT-1080
CHEMBL614580
 IC50 5.38 5.38 4199.2 1
NB69
CHEMBL1075510
 IC50 5.36 5.36 4350.5 1
NCI-H1693
CHEMBL1075521
 IC50 5.35 5.35 4448.9 1
HSC-3
CHEMBL612279
 IC50 5.35 5.35 4499.3 1
MDA-MB-231
CHEMBL400
 IC50 5.34 5.34 4559.0 1
NB17
CHEMBL2366064
 IC50 5.32 5.32 4789.8 1
5637
CHEMBL612565
 IC50 5.32 5.32 4796.5 1
BT-549
CHEMBL614072
 IC50 5.32 5.32 4788.7 1
HOS
CHEMBL614736
 IC50 5.32 5.32 4786.3 1
G-402
CHEMBL1075446
 IC50 5.31 5.31 4930.4 1
OVCAR-8
CHEMBL612555
 IC50 5.31 5.31 4924.4 1
HCC1806
CHEMBL1075457
 IC50 5.29 5.29 5083.4 1
COLO-800
CHEMBL2366224
 IC50 5.29 5.29 5126.4 1
BB30-HNC
CHEMBL2366271
 IC50 5.29 5.29 5072.2 1
FaDu
CHEMBL612250
 IC50 5.29 5.29 5166.4 1
NCI-H1651
CHEMBL1075519
 IC50 5.28 5.28 5199.4 1
CHP-212
CHEMBL1075423
 IC50 5.27 5.27 5394.1 1
AGS
CHEMBL613860
 IC50 5.27 5.27 5365.6 1
NCI-H2342
CHEMBL1075537
 IC50 5.26 5.26 5532.8 1
GOTO
CHEMBL2366179
 IC50 5.26 5.26 5495.8 1
YAPC
CHEMBL612815
 IC50 5.26 5.26 5477.1 1
KYSE-510
CHEMBL613868
 IC50 5.26 5.26 5511.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
KU-19-19 IC50 = 932.36 nM 6.03 SANGER: Inhibition of human KU-19-19 cell growth in a cell viability assay. -
H4 IC50 = 1067.07 nM 5.97 SANGER: Inhibition of human H4 cell growth in a cell viability assay. -
KGN IC50 = 1620.5 nM 5.79 SANGER: Inhibition of human KGN cell growth in a cell viability assay. -
786-0 IC50 = 1729.89 nM 5.76 SANGER: Inhibition of human 786-0 cell growth in a cell viability assay. -
769-P IC50 = 1822.24 nM 5.74 SANGER: Inhibition of human 769-P cell growth in a cell viability assay. -
K5 IC50 = 2016.24 nM 5.7 SANGER: Inhibition of human K5 cell growth in a cell viability assay. -
KOSC-2 IC50 = 2032.17 nM 5.69 SANGER: Inhibition of human KOSC-2 cell growth in a cell viability assay. -
MLMA IC50 = 2287.03 nM 5.64 SANGER: Inhibition of human MLMA cell growth in a cell viability assay. -
EW-7 IC50 = 2326.95 nM 5.63 SANGER: Inhibition of human EW-7 cell growth in a cell viability assay. -
SW1088 IC50 = 2806.51 nM 5.55 SANGER: Inhibition of human SW1088 cell growth in a cell viability assay. -
MC-IXC IC50 = 2877.92 nM 5.54 SANGER: Inhibition of human MC-IXC cell growth in a cell viability assay. -
NCI-H2052 IC50 = 3081.57 nM 5.51 SANGER: Inhibition of human NCI-H2052 cell growth in a cell viability assay. -
IGR-1 IC50 = 3120.28 nM 5.51 SANGER: Inhibition of human IGR-1 cell growth in a cell viability assay. -
DSH1 IC50 = 3242.96 nM 5.49 SANGER: Inhibition of human DSH1 cell growth in a cell viability assay. -
SK-MEL3 IC50 = 3312.07 nM 5.48 SANGER: Inhibition of human SK-MEL-3 cell growth in a cell viability assay. -
PA-1 IC50 = 3300.59 nM 5.48 SANGER: Inhibition of human PA-1 cell growth in a cell viability assay. -
SW900 IC50 = 3482.55 nM 5.46 SANGER: Inhibition of human SW900 cell growth in a cell viability assay. -
ES1 IC50 = 3528.97 nM 5.45 SANGER: Inhibition of human ES1 cell growth in a cell viability assay. -
CAKI-1 IC50 = 3527.38 nM 5.45 SANGER: Inhibition of human CAKI-1 cell growth in a cell viability assay. -
SK-N-DZ IC50 = 3625.95 nM 5.44 SANGER: Inhibition of human SK-N-DZ cell growth in a cell viability assay. -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL1201861 Detroit 562 1
- 10.6019/CHEMBL1201861 BXPC-3 1
- 10.6019/CHEMBL1201861 A549 1
- 10.6019/CHEMBL1201861 A498 1
- 10.6019/CHEMBL1201861 EFO-27 1
- 10.6019/CHEMBL1201861 EFO-21 1
- 10.6019/CHEMBL1201861 EFM-19 1
- 10.6019/CHEMBL1201861 EC-GI-10 1
- 10.6019/CHEMBL1201861 DoTc2-4510 1
- 10.6019/CHEMBL1201861 DOK 1
- 10.6019/CHEMBL1201861 ES3 1
- 10.6019/CHEMBL1201861 ES1 1
- 10.6019/CHEMBL1201861 ES4 1
- 10.6019/CHEMBL1201861 EPLC-272H 1
- 10.6019/CHEMBL1201861 EKVX 1
- 10.6019/CHEMBL1201861 EGI-1 1
- 10.6019/CHEMBL1201861 DU-145 1
- 10.6019/CHEMBL1201861 DSH1 1

Data from ChEMBL 36 via Core Engine