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Compound Detail

CHEMBL295785

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COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[C@@H]4O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL295785
Phase Preclinical
Structure Type MOL
InChI Key OXPHGFUXQGFKRJ-MFACQUFMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

655.6
MW (Da)
5.73
ALogP
7
HBA
1
HBD
80.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H40Cl2N2O6
MW 655.62
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
10937720 10.1016/s0960-894x(00)00324-3 Substance-P receptor 1
10937720 10.1016/s0960-894x(00)00324-3 Substance-K receptor 1
10937720 10.1016/s0960-894x(00)00324-3 Neuromedin-K receptor 1

Data from ChEMBL 36 via Core Engine