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Compound Detail

CHEMBL76737

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COc1cc(N)c(Cl)cc1C(=O)NCCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL76737
Phase Preclinical
Structure Type MOL
InChI Key IYUGSTOVFNGBBA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

271.8
MW (Da)
1.22
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18ClN3O2
MW 271.75
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
9046352 10.1021/jm960320m 5-hydroxytryptamine receptor 4 3

Data from ChEMBL 36 via Core Engine