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Compound Detail

CHEMBL372664

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CO[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)C2C5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL372664
Phase Preclinical
Structure Type MOL
InChI Key FCIDDJPMOSRHJG-XIAUJNHSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
1.40
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.85
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 C18H21NO4
MW 315.37
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.16

Data from ChEMBL 36 via Core Engine