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Compound Detail

CHEMBL145254

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COc1ccc(C2=NN(C(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL145254
Phase Preclinical
Structure Type MOL
InChI Key JCQVNHZHSDWZDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.2
MW (Da)
4.64
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16Cl2N2O2
MW 363.24
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
8523400 10.1021/jm00025a004 Progesterone receptor 1
8523399 10.1021/jm00025a003 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine