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Compound Detail

CHEMBL4067615

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Cl.c1ccc2c3c([nH]c2c1)CC(NC1CCOCC1)CC3

Basic Information

ChEMBL ID CHEMBL4067615
Phase Preclinical
Structure Type MOL
InChI Key KSYCZGHTSFRBDQ-UHFFFAOYSA-N
Parent Compound CHEMBL4117423
Active Moiety CHEMBL4117423
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.4
MW (Da)
2.79
ALogP
2
HBA
2
HBD
37.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23ClN2O
MW 306.84
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
28431342 10.1016/j.ejmech.2017.02.062 Unchecked 1
28431342 10.1016/j.ejmech.2017.02.062 Retinoblastoma-associated protein 1

Data from ChEMBL 36 via Core Engine