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Compound Detail

CHEMBL3546976

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CN1CCN(C(=O)c2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3546976
Phase Preclinical
Structure Type MOL
InChI Key NYGBDKPPQUPSIG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

572.0
MW (Da)
6.39
ALogP
7
HBA
1
HBD
83.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H27ClFN5O3
MW 572.04
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -1.67

Data from ChEMBL 36 via Core Engine