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Compound Detail

CHEMBL1194988

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COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)NCCN3CCCCC3)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194988
Phase Preclinical
Structure Type MOL
InChI Key FTVQLHPNRWKCQT-GPFDMERGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

552.6
MW (Da)
3.15
ALogP
9
HBA
2
HBD
115.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36N2O8
MW 552.62
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 0.51

Data from ChEMBL 36 via Core Engine