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Compound Detail

CHEMBL2385577

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COc1ccc(-c2cnc3c(-c4csc5ccccc45)cnn3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2385577
Phase Preclinical
Structure Type MOL
InChI Key OKIMNEZJSJBLJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
5.29
ALogP
5
HBA
0
HBD
39.4
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15N3OS
MW 357.44
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
23639540 10.1016/j.bmcl.2013.03.113 Bone morphogenetic protein 4 1

Data from ChEMBL 36 via Core Engine