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Compound Detail

CHEMBL3104771

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Cc1cc(C)cc(C(C)(C)C(=O)N[C@H](C(=O)NCCN2CCOCC2)c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3104771
Phase Preclinical
Structure Type MOL
InChI Key BKDQVYDRBXSHIN-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.6
MW (Da)
2.89
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35N3O3
MW 437.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
24374277 10.1016/j.bmcl.2013.12.033 Neuromedin-K receptor 1
24374277 10.1016/j.bmcl.2013.12.033 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine