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Compound Detail

CHEMBL604179

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C=CC(C)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL604179
Phase Preclinical
Structure Type MOL
InChI Key RHJPWMPPRBFFQD-OTOKDRCRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
5.17
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.70
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27NO
MW 333.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
20041669 10.1021/jm9015763 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine