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Compound Detail

CHEMBL286080

SKF-38393
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Oc1cc2c(cc1O)C(c1ccccc1)CNCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL286080
Name SKF-38393
Phase Preclinical
Structure Type MOL
InChI Key JUDKOGFHZYMDMF-UHFFFAOYSA-N

Known Names

NCG-C00093856-01 SK&F-383933 SK-383933
8
Targets
30
Activities
4
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

255.3
MW (Da)
2.38
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO2
MW 255.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.88

Activity Summary

EC50 12 meas. best 8.96
Ki 10 meas. best 7.19
IC50 4 meas. best 6.72
Kd 4 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(1A) dopamine receptor
CHEMBL2056
 EC50 8.96 6.8333 1.1 9
D(1A) dopamine receptor
CHEMBL265
 Ki 7.19 7.19 64.0 2
Rattus norvegicus
CHEMBL376
 EC50 7.1 7.1 80.0 2
Alpha-2C adrenergic receptor
CHEMBL1916
 Ki 7.08 7.08 83.2 1
D(1B) dopamine receptor
CHEMBL1850
 Ki 6.91 6.91 124.0 1
D(1A) dopamine receptor
CHEMBL2056
 Ki 6.72 6.5133 190.0 3
D(1A) dopamine receptor
CHEMBL265
 IC50 6.72 6.72 190.0 1
Alpha-2C adrenergic receptor
CHEMBL1916
 EC50 5.86 5.86 1380.4 1
Replicase polyprotein 1ab
CHEMBL4523582
 IC50 5.55 5.55 2800.0 1
D(2) dopamine receptor
CHEMBL339
 Ki 5.16 5.16 6870.0 2
Plasmodium falciparum
CHEMBL364
 IC50 4.8 4.8 15848.9 1
D(2) dopamine receptor
CHEMBL339
 Kd 4.75 4.5 18000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(1A) dopamine receptor EC50 = 1.1 nM 8.96 Agonist activity at human dopamine D1 receptor expressed in CHOK1 cells assessed... 29939744
D(1A) dopamine receptor Ki = 64.0 nM 7.19 Binding affinity was determined by measuring the ability to displace [125I]SCH-2... 1977907
D(1A) dopamine receptor Ki = 64.1 nM 7.19 Binding affinity was determined by measuring the ability to displace [125I]SCH-2... 1977907
Rattus norvegicus EC50 = 80.0 nM 7.1 Compound was tested for its D-1 activity in rat caudate nuclei 2878077
Rattus norvegicus EC50 = 80.0 nM 7.1 Central dopaminergic activity was determined by testing compound for dopamine ag... 7411552
Alpha-2C adrenergic receptor Ki = 83.18 nM 7.08 Displacement of [3H]-UK14304 from recombinant human alpha2c adrenergic receptor ... 25648685
D(1B) dopamine receptor Ki = 124.0 nM 6.91 Displacement of [3H]SCH233930 from dopamine D5 receptor after 1.5 hrs by scintil... 21907583
D(1A) dopamine receptor EC50 = 130.0 nM 6.89 Agonist activity at dopamine D1 receptor (unknown origin) expressed in HEK293 ce... 23332346
D(1A) dopamine receptor EC50 = 170.0 nM 6.77 Agonist activity at dopamine D1 receptor assessed as [35S]GTPgammaS binding in c... 22748706
D(1A) dopamine receptor EC50 = 180.0 nM 6.75 Agonist activity at D1 receptor (unknown origin) after 40 mins by [35S]GTP-gamma... 25308766
D(1A) dopamine receptor IC50 = 190.0 nM 6.72 Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude memb... 1533424
D(1A) dopamine receptor Ki = 190.0 nM 6.72 Agonist activity at dopamine D1 receptor 19559623
D(1A) dopamine receptor EC50 = 247.5 nM 6.61 [35S]GTPγS Binding Assay: For detecting the agonism action of the compounds, the... -
D(1A) dopamine receptor EC50 = 300.0 nM 6.52 Agonist activity at dopamine D1 receptor expressed in HEK293 cells by by [35S]GT... 19559623
D(1A) dopamine receptor EC50 = 386.0 nM 6.41 Formation of cAMP on Dopamine receptor D1 in vitro in carp retina 1977907
D(1A) dopamine receptor EC50 = 386.0 nM 6.41 Formation of cAMP on Dopamine receptor D1 in vitro in carp retina 1977907
D(1A) dopamine receptor Ki = 393.0 nM 6.41 Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293... 25076379
D(1A) dopamine receptor Ki = 393.0 nM 6.41 Displacement of [3H]SCH23390 from dopamine D1 receptor expressed in HEK293 cells... 19559623
D(1A) dopamine receptor EC50 = 665.9 nM 6.18 Agonist activity at D1 receptor (unknown origin) expressed in CHOK1 cells assess... 30981605
Alpha-2C adrenergic receptor EC50 = 1380.38 nM 5.86 Agonist activity at recombinant human alpha2c adrenergic receptor expressed in C... 25648685

Literature References

PubMed DOI Target Context # Activities
1977907 10.1021/jm00173a005 D(1A) dopamine receptor 6
12723940 10.1021/jm030092d D(1A) dopamine receptor 6
2878077 10.1021/jm00161a029 Canis familiaris 5
22748706 10.1016/j.bmc.2012.05.057 D(1A) dopamine receptor 4
25648685 10.1016/j.bmc.2015.01.013 Alpha-2C adrenergic receptor 4
1977907 10.1021/jm00173a005 D(2) dopamine receptor 4
23332346 10.1016/j.bmc.2012.12.016 D(1A) dopamine receptor 4
29939744 10.1021/acs.jmedchem.8b00435 D(1A) dopamine receptor 4
10956209 10.1021/jm990526y D(2) dopamine receptor 4
2878077 10.1021/jm00161a029 Rattus norvegicus 3
7411552 10.1021/jm00183a001 Rattus norvegicus 3
15801855 10.1021/jm040889k Rattus norvegicus 3
19559623 10.1016/j.bmc.2009.06.019 D(1A) dopamine receptor 3
23332346 10.1016/j.bmc.2012.12.016 D(2) dopamine receptor 2
1671417 10.1021/jm00105a047 Bos taurus 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
23332346 10.1016/j.bmc.2012.12.016 5-hydroxytryptamine receptor 1A 2
7411552 10.1021/jm00183a001 Canis familiaris 2
7411552 10.1021/jm00183a001 Unchecked 2
19559623 10.1016/j.bmc.2009.06.019 D(2) dopamine receptor 2

Data from ChEMBL 36 via Core Engine