Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL191703

CONESSINE
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191703
Name CONESSINE
Phase Phase II
Structure Type MOL
InChI Key GPLGAQQQNWMVMM-MYAJQUOBSA-N

Known Names

Conesina Conessine NSC-119994
11
Targets
23
Activities
4
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

356.6
MW (Da)
4.81
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C24H40N2
MW 356.60
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 2.36

Activity Summary

Ki 17 meas. best 8.7
EC50 3 meas. best 8.0
IC50 2 meas. best 5.98
Kd 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 8.7 7.21 2.0 2
Histamine H3 receptor
CHEMBL264
 Ki 8.46 8.3067 3.5 6
Retinoic acid receptor beta
CHEMBL2008
 EC50 8.0 8.0 10.0 1
Alpha-2C adrenergic receptor
CHEMBL1916
 Ki 7.98 7.975 10.5 2
Histamine H3 receptor
CHEMBL4124
 Ki 7.91 7.5883 12.3 6
Histamine H3 receptor
CHEMBL5076
 Kd 6.55 6.55 281.8 1
Retinoic acid receptor gamma
CHEMBL2003
 EC50 6.3 6.3 501.0 1
Retinoic acid receptor alpha
CHEMBL2055
 EC50 6.2 6.2 630.0 1
Alpha-2A adrenergic receptor
CHEMBL1867
 Ki 6.18 6.18 660.7 1
Plasmodium falciparum
CHEMBL364
 IC50 5.98 5.98 1040.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.84 4.84 14600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 2.0 nM 8.7 Selectivity ratio for human adrenergic alpha 2C4 receptor over human H3 receptor 18683917
Histamine H3 receptor Ki = 3.467 nM 8.46 Displacement of [3H]NAMH from histamine H3 receptor in human cortex 18683917
Histamine H3 receptor Ki = 5.012 nM 8.3 Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor ... 18774720
Histamine H3 receptor Ki = 5.37 nM 8.27 Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 rece... 19588934
Histamine H3 receptor Ki = 5.37 nM 8.27 Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 rece... 19588934
Histamine H3 receptor Ki = 5.37 nM 8.27 Displacement of [3H]NAMH from human full length histamine H3 receptor expressed ... 18683917
Histamine H3 receptor Ki = 5.37 nM 8.27 Displacement of [3H]NAMH from human full length histamine H3 receptor expressed ... 18683917
Retinoic acid receptor beta EC50 = 10.0 nM 8.0 Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... -
Alpha-2C adrenergic receptor Ki = 10.47 nM 7.98 Displacement of [3H]rauwolscine from human adrenergic alpha 2C4 receptor express... 18683917
Alpha-2C adrenergic receptor Ki = 10.6 nM 7.97 Displacement of [3H]rauwolscine from human adrenergic alpha 2C4 receptor express... 18683917
Histamine H3 receptor Ki = 12.3 nM 7.91 Displacement of [3H]NAMH from rat full length histamine H3 receptor expressed in... 18683917
Histamine H3 receptor Ki = 24.55 nM 7.61 Displacement of [3H]N-alpha methyl histamine from rat cortical membrane histamin... 19588934
Histamine H3 receptor Ki = 24.5 nM 7.61 Displacement of [3H]N-alpha methyl histamine from rat cortical membrane histamin... 19588934
Histamine H3 receptor Ki = 24.5 nM 7.61 Displacement of [3H]NAMH from rat full length histamine H3 receptor expressed in... 18683917
Histamine H3 receptor Ki = 24.55 nM 7.61 Displacement of [3H]NAMH from histamine H3 receptor in rat cortex 18683917
Histamine H3 receptor Ki = 66.0 nM 7.18 Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex 18194865
Histamine H3 receptor Kd = 281.84 nM 6.55 Antagonist activity at histamine H3 receptor in guinea pig ileum assessed as inh... 18683917
Retinoic acid receptor gamma EC50 = 501.0 nM 6.3 Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... -
Retinoic acid receptor alpha EC50 = 630.0 nM 6.2 Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) E... -
Alpha-2A adrenergic receptor Ki = 660.69 nM 6.18 Displacement of [3H]rauwolscine from human adrenergic alpha 2C10 receptor expres... 18683917

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5058577 U2OS 304
- 10.6019/CHEMBL5058577 HEK-293T 304
- 10.6019/CHEMBL5058577 Fibroblast 304
- 10.6019/CHEMBL5724801 U2OS 304
- 10.6019/CHEMBL5724801 Fibroblast 304
- 10.6019/CHEMBL5724801 HEK-293T 304
18683917 10.1021/jm8003625 Histamine H3 receptor 13
31063379 10.1021/acs.jmedchem.8b01781 MexAB/OprM 6
- 10.6019/CHEMBL5058564 HEK-293T 6
18683917 10.1021/jm8003625 Unchecked 5
- 10.6019/CHEMBL5058564 Fibroblast 5
18683917 10.1021/jm8003625 Rattus norvegicus 4
18558492 10.1016/j.bmc.2008.05.074 Trypanothione reductase 4
- 10.6019/CHEMBL5724696 TERT-RPE1 4
19588934 10.1021/jm900480x Histamine H3 receptor 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
18683917 10.1021/jm8003625 Blood 3
18683917 10.1021/jm8003625 Brain 3
18683917 10.1021/jm8003625 ADMET 3
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 2

Data from ChEMBL 36 via Core Engine