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Compound Detail

CHEMBL3991363

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O=c1c(F)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n1C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991363
Phase Preclinical
Structure Type MOL
InChI Key GKKIKMWHJAHAIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
3.20
ALogP
7
HBA
2
HBD
75.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25FN6O
MW 408.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine