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Compound Detail

CHEMBL5999447

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Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H](C)c2ccc(-c3scnc3C)cc2)C(C)C)on1

Basic Information

ChEMBL ID CHEMBL5999447
Phase Preclinical
Structure Type MOL
InChI Key VYCNBMDYKYYQOH-ZERUQHPESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

496.6
MW (Da)
3.99
ALogP
7
HBA
2
HBD
108.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N4O4S
MW 496.63
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.96

Activity Summary

Kd 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
von Hippel-Lindau disease tumor suppressor
CHEMBL3108660
Kd 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine