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Compound Detail

CHEMBL6006619

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CN(c1cccc(-c2cnc3cc(CO)c(-c4cn[nH]c4)cn23)n1)C1CCNC1

Basic Information

ChEMBL ID CHEMBL6006619
Phase Preclinical
Structure Type MOL
InChI Key MFVOWTLYPPFRHC-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
2.08
ALogP
7
HBA
3
HBD
94.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N7O
MW 389.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.91

Activity Summary

IC50 5 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.53 6.53 298.0 1
Unchecked
CHEMBL612545
IC50 6.53 6.53 298.0 2
GTPase NRas
CHEMBL2079845
IC50 4.78 4.78 16630.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine