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Compound Detail

CHEMBL3923631

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Cn1ncc(Br)c1-c1cc(C(=O)N[C@H](CN)Cc2cccc(C(F)(F)F)c2)sc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3923631
Phase Preclinical
Structure Type MOL
InChI Key OIKJJDAXBXJKJM-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

521.8
MW (Da)
4.88
ALogP
5
HBA
2
HBD
72.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17BrClF3N4OS
MW 521.79
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine