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Compound Detail

CHEMBL1515403

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Cl.Cl.O=C1Nc2ccc(F)cc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCNCC1

Basic Information

ChEMBL ID CHEMBL1515403
Phase Preclinical
Structure Type MOL
InChI Key JSZAJOHBFRFGED-BEDCTKBTSA-N
Parent Compound CHEMBL1623035
Active Moiety CHEMBL1623035
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
2.24
ALogP
6
HBA
3
HBD
78.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24Cl2FN5O2
MW 480.37
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Danio rerio
CHEMBL613963
IC50 4.88 4.88 13140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Danio rerio IC50 = 13140.0 nM 4.88 PUBCHEM_BIOASSAY: In Vivo Angiogenesis Dose-Response Confirmation. (Class of ass... -

Data from ChEMBL 36 via Core Engine