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Compound Detail

CHEMBL3185694

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O=C(Nc1cc(N2CCCCC2)ncn1)c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3185694
Phase Preclinical
Structure Type MOL
InChI Key DVJBPQULIUEIEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
3.74
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17F3N4O
MW 350.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.93

Data from ChEMBL 36 via Core Engine