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Compound Detail

CHEMBL4116206

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NCc1cc(Oc2cccc(C(=O)N3CC[C@@H](N)C3)c2)nc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116206
Phase Preclinical
Structure Type MOL
InChI Key BYWBCSRCPLBDFU-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
2.52
ALogP
5
HBA
2
HBD
94.5
PSA (Ų)
0.85
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 C18H19F3N4O2
MW 380.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.48

Data from ChEMBL 36 via Core Engine