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Compound Detail

CHEMBL1204433

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CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccncc3)o2)cc1-c1ccccc1C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204433
Phase Preclinical
Structure Type MOL
InChI Key LHMOVHABFVYLCF-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

530.6
MW (Da)
5.97
ALogP
6
HBA
2
HBD
101.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30N2O5S
MW 530.65
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine