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Compound Detail

CHEMBL4116232

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COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCO)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(CCO)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116232
Phase Preclinical
Structure Type MOL
InChI Key CCADKWHCTNBQGS-QNCOECKJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

712.9
MW (Da)
6.18
ALogP
8
HBA
2
HBD
95.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H52N2O8+2
MW 712.88
Aromatic Rings 4
Heavy Atoms 52
NP-Likeness 1.64

Data from ChEMBL 36 via Core Engine