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Compound Detail

CHEMBL4294604

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O=C(O)c1ccnc(-c2cn(CCNCc3ccc(F)cc3)cn2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4294604
Phase Preclinical
Structure Type MOL
InChI Key AVCRDDXMLCGJOG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.57
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN4O2
MW 340.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.26

Data from ChEMBL 36 via Core Engine