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

CHEMBL291678

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
NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C[C@@H](c2ccc(CP(=O)(O)O)cc2)/C=C/C[C@@H](Cc2cccc3ccccc23)CNC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291678
Phase Preclinical
Structure Type MOL
InChI Key RHYFMOCFCFUTNH-GZNVFMSSSA-N
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

688.8
MW (Da)
4.11
ALogP
5
HBA
6
HBD
187.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H45N4O7P
MW 688.76
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness 0.34

Activity Summary

IC50 5 meas. best 7.7
Ki 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth factor receptor-bound protein 2
CHEMBL3663
 Ki 7.8 7.8 16.0 1
Growth factor receptor-bound protein 2
CHEMBL3663
 IC50 7.7 7.428 20.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Growth factor receptor-bound protein 2 Ki = 16.0 nM 7.8 Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human f... 34506932
Growth factor receptor-bound protein 2 IC50 = 20.0 nM 7.7 Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in ELISA 11459654
Growth factor receptor-bound protein 2 IC50 = 20.0 nM 7.7 In vitro binding affinity in extracellular ELISA-based assay for Grb2 SH2 domain 14761181
Growth factor receptor-bound protein 2 IC50 = 20.0 nM 7.7 Binding affinity to Grb2-SH2 domain (unknown origin) by ELISA 34506932
Growth factor receptor-bound protein 2 IC50 = 26.0 nM 7.58 Inhibition of Growth factor receptor bound protein 2 SH2 domain in extracellular... 12801226
Growth factor receptor-bound protein 2 IC50 = 350.0 nM 6.46 Displacement of FITC-Ahx-PVPePYINQSVPKRK-NH2 from N-terminal His6-tagged human f... 34506932

Literature References

PubMed DOI Target Context # Activities
34506932 10.1016/j.bmcl.2021.128354 Growth factor receptor-bound protein 2 4
12801226 10.1021/jm030049q Growth factor receptor-bound protein 2 2
14761181 10.1021/jm030440b Growth factor receptor-bound protein 2 2
34506932 10.1016/j.bmcl.2021.128354 ADMET 2
11459654 10.1016/s0960-894x(01)00316-x Growth factor receptor-bound protein 2 1
12801226 10.1021/jm030049q MDA-MB-453 1

Data from ChEMBL 36 via Core Engine