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Compound Detail

CHEMBL2143103

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CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccc(Cl)cc3Cl)cccn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2143103
Phase Preclinical
Structure Type MOL
InChI Key RUTVXWVZSFWTLW-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.3
MW (Da)
5.38
ALogP
5
HBA
0
HBD
56.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21Cl2N3O3
MW 422.31
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.60

Activity Summary

IC50 1 meas.

Data from ChEMBL 36 via Core Engine