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Compound Detail

CHEMBL5095634

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CC(=O)NCCNCc1cc(Cl)c(OCc2cccc(-c3ccccc3)c2Br)cc1OCc1ccc2nonc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095634
Phase Preclinical
Structure Type MOL
InChI Key NRJRCXMWTGKHIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

636.0
MW (Da)
6.69
ALogP
7
HBA
2
HBD
98.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H28BrClN4O4
MW 635.95
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine