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Compound Detail

CHEMBL1423708

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CC[N+]1=C(C)C(C)(C)c2cc(C)ccc21.[I-]

Basic Information

ChEMBL ID CHEMBL1423708
Phase Preclinical
Structure Type MOL
InChI Key CRVFWGHOBUHZAW-UHFFFAOYSA-M
Parent Compound CHEMBL1620379
Active Moiety CHEMBL1620379
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

202.3
MW (Da)
3.41
ALogP
0
HBA
0
HBD
3.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20IN
MW 329.22
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.25

Activity Summary

EC50 1 meas. best 5.83
IC50 1 meas. best 5.69

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.83 5.83 1494.0 1
Zinc finger protein GLI1
CHEMBL5007
IC50 5.69 5.69 2060.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine