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Compound Detail

CHEMBL36552

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COc1ccc(C(=O)NC(=O)NC2CN3CCC2CC3)cc1.O=C(O)/C=C\C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL36552
Phase Preclinical
Structure Type MOL
InChI Key ANIOXWZUEFRMJD-BTJKTKAUSA-N
Parent Compound CHEMBL1178665
Active Moiety CHEMBL1178665
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
1.23
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O7
MW 419.43
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.80

Literature References

PubMed DOI Target Context # Activities
1578478 10.1021/jm00087a003 Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine