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Compound Detail

CHEMBL515846

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CCCN1CCC(c2ccc(Nc3nc(Nc4ccsc4C(N)=O)c4cc[nH]c4n3)c(OC)c2)CC1

Basic Information

ChEMBL ID CHEMBL515846
Phase Preclinical
Structure Type MOL
InChI Key MMNHSQXMGMJMBM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
5.20
ALogP
8
HBA
4
HBD
121.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31N7O2S
MW 505.65
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.37

Activity Summary

IC50 2 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 8.89 8.085 1.3 2

Pharmacokinetic Data

Parameter Value Units Species
T1/2 920.0 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