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Compound Detail

CHEMBL3547658

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c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCCCC23CCCCN2CCCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3547658
Phase Preclinical
Structure Type MOL
InChI Key WDMGYWSRFPCZPP-IFZQRFIDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

555.8
MW (Da)
8.35
ALogP
5
HBA
1
HBD
45.5
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H41N5
MW 555.77
Aromatic Rings 3
Heavy Atoms 42
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine