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Compound Detail

CHEMBL1458018

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O=C(CNCc1ccccn1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.O=C(O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1458018
Phase Preclinical
Structure Type MOL
InChI Key XQPBXENYDPYWAI-UHFFFAOYSA-N
Parent Compound CHEMBL1621408
Active Moiety CHEMBL1621408
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
2.67
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.79
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 C21H23F3N4O6
MW 484.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -2.41

Data from ChEMBL 36 via Core Engine