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Compound Detail

CHEMBL111341

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Oc1nc2cc3cc(OCCCc4nnnn4C4CCN(CC5CCCCO5)CC4)ccc3[nH]c-2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111341
Phase Preclinical
Structure Type MOL
InChI Key UBHJOFFKKNLEFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
2.97
ALogP
10
HBA
2
HBD
127.1
PSA (Ų)
0.36
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 C25H32N8O3
MW 492.58
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.50

Data from ChEMBL 36 via Core Engine