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Compound Detail

CHEMBL4118001

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NCc1ccnc(Oc2cccc(C(=O)N3C[C@H](O)[C@@H](F)C3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4118001
Phase Preclinical
Structure Type MOL
InChI Key HVUVKENGXLZGMD-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
1.49
ALogP
5
HBA
2
HBD
88.7
PSA (Ų)
0.89
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 C17H18FN3O3
MW 331.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine