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Compound Detail

CHEMBL75207

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c1ccc(C2CCNC2)cc1

Basic Information

ChEMBL ID CHEMBL75207
Phase Preclinical
Structure Type MOL
InChI Key PRRFFTYUBPGHLE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

147.2
MW (Da)
1.76
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13N
MW 147.22
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.01

Activity Summary

IC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
IC50 6.31 6.31 486.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor IC50 = 486.0 nM 6.31 Inhibitory concentration against [3H]U-86170 binding to Dopamine receptor D2 exp... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00618-X Rattus norvegicus 7
15081025 10.1016/j.bmcl.2004.02.014 5-hydroxytryptamine receptor 2A 1
- 10.1016/S0960-894X(96)00618-X 5-hydroxytryptamine receptor 1A 1
- 10.1016/S0960-894X(96)00618-X Serotonin 2 (5-HT2) receptor 1
- 10.1016/S0960-894X(96)00618-X D(2) dopamine receptor 1
- 10.1016/S0960-894X(96)00618-X D(3) dopamine receptor 1
- 10.1016/S0960-894X(96)00618-X No relevant target 1

Data from ChEMBL 36 via Core Engine