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Compound Detail

CHEMBL1963544

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O=[N+]([O-])c1ncn(CCCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963544
Phase Preclinical
Structure Type MOL
InChI Key IFGPOGLWTGTIGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
2.41
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.53
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 C17H21F3N6O2
MW 398.39
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.86

Data from ChEMBL 36 via Core Engine