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Compound Detail

CHEMBL307074

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COC(=O)CC[C@H](C(=O)NO)N(Cc1ccc(C)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307074
Phase Preclinical
Structure Type MOL
InChI Key CYXDIIIHHNMFDN-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.5
MW (Da)
1.93
ALogP
9
HBA
2
HBD
165.4
PSA (Ų)
0.20
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O9S
MW 495.51
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.98

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