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Compound Detail

CHEMBL5095797

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OC1CCC(NCc2cc(Cl)c(OCc3cccc(-c4ccccc4)c3Br)cc2OCc2ccc3nonc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095797
Phase Preclinical
Structure Type MOL
InChI Key LAEDGVSAXCXZCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

649.0
MW (Da)
7.86
ALogP
7
HBA
2
HBD
89.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H31BrClN3O4
MW 648.98
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine