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Compound Detail

CHEMBL431696

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COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCCN1CCN(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL431696
Phase Preclinical
Structure Type MOL
InChI Key LSHMOEOLVFEUHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.9
MW (Da)
4.19
ALogP
7
HBA
1
HBD
62.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27ClFN5O2
MW 459.95
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.61

Data from ChEMBL 36 via Core Engine