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Compound Detail

CHEMBL111445

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CCCC(CCC)CN1CCC(n2nnnc2CCCOc2ccc3[nH]c4nc(O)nc-4cc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111445
Phase Preclinical
Structure Type MOL
InChI Key FXASPIBWTPPNIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

506.7
MW (Da)
4.62
ALogP
9
HBA
2
HBD
117.9
PSA (Ų)
0.27
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38N8O2
MW 506.66
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -1.28

Data from ChEMBL 36 via Core Engine