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Compound Detail

CHEMBL1199490

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COc1cc(NCC(O)CN2CCN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199490
Phase Preclinical
Structure Type MOL
InChI Key FCCXPRQHMYZMTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

569.7
MW (Da)
4.99
ALogP
7
HBA
2
HBD
66.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H41F2N3O4
MW 569.69
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine