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Compound Detail

CHEMBL4280571

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FC1(F)CC[C@@H](Nc2nc(N[C@@H]3CCC(F)(F)C3)nc(-c3cncc(C(F)(F)F)n3)n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4280571
Phase Preclinical
Structure Type MOL
InChI Key YWUBJNPVIIBDPD-NXEZZACHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.4
MW (Da)
4.55
ALogP
7
HBA
2
HBD
88.5
PSA (Ų)
0.63
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 C18H18F7N7
MW 465.38
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.61

Data from ChEMBL 36 via Core Engine