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Compound Detail

CHEMBL4764719

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C=CC(=O)Nc1ccc(C(=O)N2CCCC(Nc3ncc(COCc4ncc(C(C)(C)C)o4)s3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4764719
Phase Preclinical
Structure Type MOL
InChI Key YPSQOIGPBAPUFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

523.7
MW (Da)
4.99
ALogP
8
HBA
2
HBD
109.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N5O4S
MW 523.66
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.59

Data from ChEMBL 36 via Core Engine