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Compound Detail

CHEMBL293137

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Oc1ccc(-c2c(O)c(O)cc3c2CCNCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL293137
Phase Preclinical
Structure Type MOL
InChI Key MKXCPBWJFXOHMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
2.16
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO3
MW 271.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.93

Literature References

PubMed DOI Target Context # Activities
3761310 10.1021/jm00160a018 D(1A) dopamine receptor 1
3761310 10.1021/jm00160a018 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine