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Compound Detail

CHEMBL537737

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Oc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL537737
Phase Preclinical
Structure Type MOL
InChI Key XMQZZYKNICJHTB-FGZHOGPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.9
MW (Da)
4.07
ALogP
6
HBA
1
HBD
65.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN2O4
MW 414.89
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine