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Compound Detail

CHEMBL200243

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COc1cccc2cc(C(=O)NCCCCN3CCN(c4nc5ccccc5[nH]4)CC3)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200243
Phase Preclinical
Structure Type MOL
InChI Key BGNLEFFBMRBOQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
3.65
ALogP
6
HBA
2
HBD
86.6
PSA (Ų)
0.40
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 C25H29N5O3
MW 447.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.43

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