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Compound Detail

CHEMBL1984842

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CC(C)COc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12

Basic Information

ChEMBL ID CHEMBL1984842
Phase Preclinical
Structure Type MOL
InChI Key DDDPTRGZLJPPQR-UHFFFAOYSA-N
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
4.46
ALogP
8
HBA
2
HBD
97.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29FN6O2
MW 464.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.15

Activity Summary

Ki 10 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
Ki 8.8 8.8 1.6 1
Casein kinase I isoform delta
CHEMBL2828
Ki 7.5 7.5 31.6 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 7.4 7.4 39.8 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 7.4 7.4 39.8 1
Casein kinase I isoform alpha
CHEMBL2793
Ki 6.5 6.5 316.2 1
LIM domain kinase 1
CHEMBL3836
Ki 6.1 6.1 794.3 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 5.3 5.3 5011.9 1
Mitogen-activated protein kinase 1
CHEMBL4040
Ki 5.2 5.2 6309.6 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine