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Compound Detail

CHEMBL419088

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COC(=O)CC[C@H](C(=O)NO)N(Cc1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419088
Phase Preclinical
Structure Type MOL
InChI Key NNJQHMKRPUPPNU-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.5
MW (Da)
2.73
ALogP
7
HBA
2
HBD
122.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23F3N2O7S
MW 504.48
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
12824039 10.1016/s0960-894x(03)00402-5 Bone morphogenetic protein 1 1

Data from ChEMBL 36 via Core Engine