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Compound Detail

CHEMBL3655753

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CO[C@H]1C[C@@H](C(=O)Nc2ncns2)N(c2nc(Nc3cc(C4CC4)n[nH]3)c3cccn3n2)C1

Basic Information

ChEMBL ID CHEMBL3655753
Phase Preclinical
Structure Type MOL
InChI Key PWFDUJQDUKYHCZ-WFASDCNBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
2.16
ALogP
11
HBA
3
HBD
138.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N10O2S
MW 466.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 2.0 nM 8.7 Tyrosine Kinase Assay: Kinase assay using IGF1-receptor. -

Data from ChEMBL 36 via Core Engine