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Compound Detail

CHEMBL1744067

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CCN1CCN(C)C[C@@H](NC(=O)c2cc(Cl)c(OC)nc2NC)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1744067
Phase Preclinical
Structure Type MOL
InChI Key JKXXUVHVFJOIIU-LLVKDONJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

355.9
MW (Da)
1.15
ALogP
6
HBA
2
HBD
69.7
PSA (Ų)
0.83
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 C16H26ClN5O2
MW 355.87
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
12593651 10.1021/jm020270n D(2) dopamine receptor 1
12593651 10.1021/jm020270n Serotonin 3 (5-HT3) receptor 1

Data from ChEMBL 36 via Core Engine