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Compound Detail

CHEMBL4084483

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O=C1/C(=C/c2c(Cl)cccc2Cl)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4084483
Phase Preclinical
Structure Type MOL
InChI Key ZNLHTZAPYMUGRZ-XTFAHGHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.4
MW (Da)
4.53
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.61
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 C27H25Cl2NO4
MW 498.41
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.80

Literature References

PubMed DOI Target Context # Activities
28662966 10.1016/j.bmc.2017.06.026 Trichomonas vaginalis 1

Data from ChEMBL 36 via Core Engine