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Compound Detail

CHEMBL48114

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CCN(CC)CCN(C)CC[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OCC12)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48114
Phase Preclinical
Structure Type MOL
InChI Key KCBFLYRJTUOCRO-DKHCVSDUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

540.7
MW (Da)
3.82
ALogP
9
HBA
1
HBD
89.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40N2O7
MW 540.66
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.63

Data from ChEMBL 36 via Core Engine