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Compound Detail

CHEMBL1186306

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COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc(NC(C)=O)cc2)N3C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186306
Phase Preclinical
Structure Type MOL
InChI Key CVBMTMJHNDIDRP-DFXJHMEVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
4.01
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N2O4
MW 436.55
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine