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Compound Detail

CHEMBL4283896

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C[C@@H](Nc1nc(NCC(N)=O)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4283896
Phase Preclinical
Structure Type MOL
InChI Key YDQAYHKPLFMZEJ-MRVPVSSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
2.06
ALogP
7
HBA
3
HBD
118.7
PSA (Ų)
0.67
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 C16H18F3N7O
MW 381.36
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.19

Data from ChEMBL 36 via Core Engine