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Compound Detail

CHEMBL5809905

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C[N+](C)(C)CCCn1c(Cc2cc3c(cc2I)OCO3)nc2c(N)nc(F)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5809905
Phase Preclinical
Structure Type MOL
InChI Key SIUQHUOPTWUTKT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

513.3
MW (Da)
2.57
ALogP
7
HBA
1
HBD
88.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23FIN6O2+
MW 513.34
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.40

Activity Summary

EC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.02 7.02 95.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 95.3 nM 7.02 Binding to JNPL3 brain Hsp90: The assay buffer (HFB) contained 20 mM HEPES (K) p... -

Data from ChEMBL 36 via Core Engine