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Compound Detail

CHEMBL3910442

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C=CC(=O)Nc1cccc(F)c1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3910442
Phase Preclinical
Structure Type MOL
InChI Key GTXFOYMMUISWIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

535.4
MW (Da)
5.48
ALogP
7
HBA
3
HBD
117.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21Cl2FN6O4
MW 535.36
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine