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Compound Detail

CHEMBL1967666

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Cc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=O)Cc1cc(=O)oc2cc(O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1967666
Phase Preclinical
Structure Type MOL
InChI Key WCRKUBGTWMEDDH-VULFUBBASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.4
MW (Da)
3.78
ALogP
6
HBA
2
HBD
95.1
PSA (Ų)
0.21
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23Cl2N3O4
MW 476.36
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.82

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
28739043 10.1016/j.bmcl.2017.07.035 Myocilin 2

Data from ChEMBL 36 via Core Engine