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Compound Detail

CHEMBL5850573

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CC1C(=O)Nc2ncnc(N3CCN(c4nc(-c5cncc(F)c5)ccc4NCCN(C)C)CC3)c21

Basic Information

ChEMBL ID CHEMBL5850573
Phase Preclinical
Structure Type MOL
InChI Key GPFHLXMWVVJSMQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
2.43
ALogP
9
HBA
2
HBD
102.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30FN9O
MW 491.58
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine