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Compound Detail

CHEMBL1198429

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COc1ccc(C(=O)O[C@@H](C[C@@H]2CCC[C@H](CC(=O)c3ccccc3)N2C)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198429
Phase Preclinical
Structure Type MOL
InChI Key PVFJUPBXTIVRDR-ALTZYDRJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
6.11
ALogP
5
HBA
0
HBD
55.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33NO4
MW 471.60
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.20

Data from ChEMBL 36 via Core Engine