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Compound Detail

CHEMBL515233

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Cl.Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL515233
Phase Preclinical
Structure Type MOL
InChI Key BGCWXGCLBKLQJC-XHHOCVOQSA-N
Parent Compound CHEMBL1187685
Active Moiety CHEMBL1187685
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

533.1
MW (Da)
6.83
ALogP
5
HBA
0
HBD
45.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H38Cl2N2O3
MW 569.57
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
19268600 10.1016/j.bmc.2009.01.078 Heme oxygenase 1 1
19268600 10.1016/j.bmc.2009.01.078 Heme oxygenase 2 1

Data from ChEMBL 36 via Core Engine