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Compound Detail

CHEMBL514718

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COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2n1

Basic Information

ChEMBL ID CHEMBL514718
Phase Preclinical
Structure Type MOL
InChI Key PGLGFLNSPUHDGR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
4.14
ALogP
9
HBA
4
HBD
124.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N8O2S
MW 506.64
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.68

Activity Summary

IC50 2 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 8.8 7.885 1.6 2

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1000.0 hr -

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19081716 10.1016/j.bmcl.2008.11.065 Insulin-like growth factor 1 receptor 2
19081716 10.1016/j.bmcl.2008.11.065 No relevant target 1

Data from ChEMBL 36 via Core Engine