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Compound Detail

CHEMBL111162

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Oc1nc2cc3cc(OCCCc4nnnn4C4CCN(Cc5ccc(F)cc5)CC4)ccc3[nH]c-2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111162
Phase Preclinical
Structure Type MOL
InChI Key JPTSXECDLXVSLG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
3.74
ALogP
9
HBA
2
HBD
117.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27FN8O2
MW 502.55
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.78

Data from ChEMBL 36 via Core Engine