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Compound Detail

CHEMBL2111607

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C[C@H](O[C@H]1CCCN[C@H]1c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2111607
Phase Preclinical
Structure Type MOL
InChI Key FFKDZHIKRMLWQT-SNRMKQJTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
4.26
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23NO
MW 281.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10118-4 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine