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Compound Detail

CHEMBL358033

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O=C(N[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1)c1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL358033
Phase Preclinical
Structure Type MOL
InChI Key YECFTEONBCBTGK-CLJLJLNGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

431.0
MW (Da)
5.36
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27ClN2O
MW 430.98
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81197-5 Substance-P receptor 3
- 10.1016/S0960-894X(01)81197-5 Substance-K receptor 1
- 10.1016/S0960-894X(01)81197-5 Neuromedin-K receptor 1

Data from ChEMBL 36 via Core Engine