Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4598112

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCS(=O)(=O)N[C@@H]1Cc2ccc(cc2)NC(=O)CCN2CCN(CCC(=O)Nc3ccc(cc3)C[C@@H](C(=O)NCc3ccc(C(=N)N)cc3)NC1=O)CC2

Basic Information

ChEMBL ID CHEMBL4598112
Phase Preclinical
Structure Type MOL
InChI Key NAGNRVHWMOTMQO-OIDHKYIRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

788.0
MW (Da)
1.93
ALogP
9
HBA
7
HBD
218.9
PSA (Ų)
0.12
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H53N9O6S
MW 787.99
Aromatic Rings 3
Heavy Atoms 56
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine