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Compound Detail

CHEMBL5411275

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COc1ncc(NC(=O)N2CCN(C(=O)/C=C/c3ccc4c(c3)OC(F)(F)O4)CC2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5411275
Phase Preclinical
Structure Type MOL
InChI Key PLANLSAMHPOUDS-HWKANZROSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
2.20
ALogP
7
HBA
1
HBD
106.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19F2N5O5
MW 447.40
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
38047891 10.1021/acs.jmedchem.3c01364 G-protein coupled receptor 183 1

Data from ChEMBL 36 via Core Engine