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Compound Detail

CHEMBL5982959

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Cc1cc(Oc2nccc(C)c2C#N)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5982959
Phase Preclinical
Structure Type MOL
InChI Key DBMJQIMENXMEID-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.72
ALogP
6
HBA
1
HBD
100.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4O3
MW 362.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.95

Activity Summary

Ki 1 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(1A) dopamine receptor
CHEMBL2056
 Ki 7.34 7.34 45.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(1A) dopamine receptor Ki = 45.9 nM 7.34 Receptor Binding Assay: D1 binding assays were performed using over-expressing L... -

Data from ChEMBL 36 via Core Engine