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Compound Detail

CHEMBL4471720

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O=c1cc(-c2ccc(N3CCNCC3)cc2)oc2c(OC3CCNC3)c(O)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4471720
Phase Preclinical
Structure Type MOL
InChI Key RWTLHVLREGGDSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
2.02
ALogP
8
HBA
4
HBD
107.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N3O5
MW 423.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.59

Literature References

PubMed DOI Target Context # Activities
31238183 10.1016/j.ejmech.2019.06.024 CDK2/Cyclin A2 1
31238183 10.1016/j.ejmech.2019.06.024 CDK9/cyclin T1 1
31238183 10.1016/j.ejmech.2019.06.024 HepG2 1

Data from ChEMBL 36 via Core Engine