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Compound Detail

CHEMBL5966197

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CCn1c(-c2cccnc2[C@H](C)OC)c2c3cc(ccc31)-c1csc(n1)C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)N1CCC3(CC1)CN(C(=O)/C=C/CN1CCOCC1)C3)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2

Basic Information

ChEMBL ID CHEMBL5966197
Phase Preclinical
Structure Type MOL
InChI Key KTVLMXQNLSWQNX-PVNAEWOASA-N
3
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

1049.3
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C56H76N10O8S
MW 1049.35

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 6.5933 55.0 3
Unchecked
CHEMBL612545
IC50 7.26 6.76 55.0 8

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine