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Compound Detail

CHEMBL4116070

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NCc1cc(Oc2cccc(C(=O)NCCn3cnnn3)c2)nc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116070
Phase Preclinical
Structure Type MOL
InChI Key AJZDHLHTTJRNQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
1.77
ALogP
8
HBA
2
HBD
120.8
PSA (Ų)
0.61
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 C17H16F3N7O2
MW 407.36
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.17

Data from ChEMBL 36 via Core Engine