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Compound Detail

CHEMBL5095727

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O=C1CC[C@@H](CNCc2cc(Cl)c(OCc3cccc(-c4ccccc4)c3Cl)cc2OCc2ccc3nonc3c2)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095727
Phase Preclinical
Structure Type MOL
InChI Key SHDLIICVMYEMOJ-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

603.5
MW (Da)
6.72
ALogP
7
HBA
2
HBD
98.5
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H28Cl2N4O4
MW 603.51
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -0.73

Data from ChEMBL 36 via Core Engine