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Compound Detail

CHEMBL1789187

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N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1ccno1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789187
Phase Preclinical
Structure Type MOL
InChI Key SDRHZGGFUFCFFW-SECBINFHSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.2
MW (Da)
2.43
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11F3N4O2
MW 312.25
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.26

Pharmacokinetic Data

Parameter Value Units Species
CL 3.0 mL.min-1.g-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 ADMET 3
- 10.6019/CHEMBL3301361 No relevant target 2

Data from ChEMBL 36 via Core Engine