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Compound Detail

CHEMBL2385593

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CN1CCN(c2ccc(-c3cnc4c(-c5csc6ccccc56)cnn4c3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2385593
Phase Preclinical
Structure Type MOL
InChI Key KLHCLOMLKFTMRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.6
MW (Da)
5.03
ALogP
6
HBA
0
HBD
36.7
PSA (Ų)
0.41
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 C25H23N5S
MW 425.56
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.72

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