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Compound Detail

CHEMBL3904492

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Cn1ncc(Cl)c1-c1cc(C(=O)N[C@H](CN)Cc2ccccc2C(F)(F)F)oc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3904492
Phase Preclinical
Structure Type MOL
InChI Key SMUUOXBVQYCMKM-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.3
MW (Da)
4.31
ALogP
5
HBA
2
HBD
86.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17Cl2F3N4O2
MW 461.27
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine