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Compound Detail

CHEMBL433233

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NC1Cc2cccn3ncc(c23)C1

Basic Information

ChEMBL ID CHEMBL433233
Phase Preclinical
Structure Type MOL
InChI Key PRZSHWXHGWAKRK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
0.76
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11N3
MW 173.22
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(2) dopamine receptor
CHEMBL339
IC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(2) dopamine receptor IC50 = 2800.0 nM 5.55 Compound was evaluated for binding affinity to Dopamine receptor D2 labeled with... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80003-7 D(2) dopamine receptor 2
- 10.1016/S0960-894X(00)80003-7 D(1A) dopamine receptor 1

Data from ChEMBL 36 via Core Engine