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Compound Detail

CHEMBL212075

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Cc1ccc(OCc2ccccc2)c(/C(CCN2CCN(c3ccccn3)CC2)=N/O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212075
Phase Preclinical
Structure Type MOL
InChI Key SJLNUFQJFJWDEH-ZZIIXHQDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
4.36
ALogP
6
HBA
1
HBD
61.2
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N4O2
MW 430.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
16913699 10.1021/jm060279f D(2) dopamine receptor 2
16913699 10.1021/jm060279f D(4) dopamine receptor 2

Data from ChEMBL 36 via Core Engine