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Compound Detail

CHEMBL515092

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COc1cccc(CN(C(=O)C(C)C)C2CC(C(=O)N3CCNCC3)N(Cc3ccc4c(c3)OCO4)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL515092
Phase Preclinical
Structure Type MOL
InChI Key DYLVDWNJOKFGCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
2.48
ALogP
7
HBA
1
HBD
83.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38N4O5
MW 522.65
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
19309080 10.1021/jm801420y Sonic hedgehog protein 1

Data from ChEMBL 36 via Core Engine