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Compound Detail

CHEMBL201275

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COc1ccc2onc(N3CCN(CCCCNC(=O)c4cc5ccccc5oc4=O)CC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201275
Phase Preclinical
Structure Type MOL
InChI Key HNQJFNMZAOAKHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
3.28
ALogP
8
HBA
1
HBD
101.0
PSA (Ų)
0.31
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 C26H28N4O5
MW 476.53
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
16392820 10.1021/jm050734s D(3) dopamine receptor 1
16392820 10.1021/jm050734s D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine