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Compound Detail

CHEMBL3931212

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Clc1ccccc1Nc1nc(Nc2cc(C3CC3)n[nH]2)ncc1Br

Basic Information

ChEMBL ID CHEMBL3931212
Phase Preclinical
Structure Type MOL
InChI Key YKLIHMPWTZLLMN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

405.7
MW (Da)
4.98
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14BrClN6
MW 405.69
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.64

Activity Summary

IC50 2 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 7.3 7.3 50.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine