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Compound Detail

CHEMBL2078778

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Cn1cc2c(nc(NC(=O)NC3CCN(CC4CCCCC4)CC3)n3nc(-c4ccco4)nc23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2078778
Phase Preclinical
Structure Type MOL
InChI Key KRXUGZFXHINHOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
3.44
ALogP
9
HBA
2
HBD
118.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31N9O2
MW 477.57
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.82

Data from ChEMBL 36 via Core Engine