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Compound Detail

CHEMBL76419

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

Basic Information

ChEMBL ID CHEMBL76419
Phase Preclinical
Structure Type MOL
InChI Key TUQCTEPQYAMYIB-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.4
MW (Da)
2.48
ALogP
7
HBA
2
HBD
122.2
PSA (Ų)
0.28
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 C20H23BrN2O7S
MW 515.38
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.68

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