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Compound Detail

CHEMBL5991616

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CO[C@@H](C)c1ncccc1-c1c2c3cc(ccc3n1CC(F)(F)F)-c1csc(n1)C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)N1CCN(C(=O)/C=C/CN(C)C)C3(CC3)C1)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2

Basic Information

ChEMBL ID CHEMBL5991616
Phase Preclinical
Structure Type MOL
InChI Key LBARRQRTWCNAMX-PBSRCKIRSA-N
3
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

1047.3
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C53H69F3N10O7S
MW 1047.26

Activity Summary

IC50 12 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GTPase NRas
CHEMBL2079845
IC50 7.26 7.26 55.0 1
GTPase KRas
CHEMBL2189121
IC50 7.26 7.26 55.0 3
Unchecked
CHEMBL612545
IC50 7.26 7.135 55.0 8

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine