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Compound Detail

CHEMBL1189531

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CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccccc5Cl)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189531
Phase Preclinical
Structure Type MOL
InChI Key JEEZZUVRSXIEDA-RYKMDJAISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

902.5
MW (Da)
6.71
ALogP
10
HBA
3
HBD
136.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H60ClN5O7
MW 902.53
Aromatic Rings 4
Heavy Atoms 65
NP-Likeness 0.99

Data from ChEMBL 36 via Core Engine