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Compound Detail

CHEMBL281703

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O=S(=O)(N[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL281703
Phase Preclinical
Structure Type MOL
InChI Key XDUINQTYZZSOSK-UIOOFZCWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
4.26
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N2O2S
MW 432.59
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
7490729 10.1021/jm00024a007 Substance-P receptor 1
- 10.1016/S0960-894X(00)80349-2 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine