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Compound Detail

CHEMBL3558531

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C[C@]12CC[C@H]3[C@@H](CCC4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O

Basic Information

ChEMBL ID CHEMBL3558531
Phase Preclinical
Structure Type MOL
InChI Key MJXIPHMGYJXKLJ-HUIMPEKJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.21
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H29NO3
MW 319.45
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.68

Data from ChEMBL 36 via Core Engine