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Compound Detail

CHEMBL1187717

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COc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187717
Phase Preclinical
Structure Type MOL
InChI Key YWHCXXIGBFLRAI-DHIUTWEWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.9
MW (Da)
4.37
ALogP
6
HBA
0
HBD
54.7
PSA (Ų)
0.51
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 C23H25ClN2O4
MW 428.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine