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Compound Detail

CHEMBL3208197

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Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3208197
Phase Preclinical
Structure Type MOL
InChI Key NATSJEDPNROWRU-RGVLZGJSSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.01
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O
MW 304.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.97

Activity Summary

IC50 2 meas. best 4.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
OCI-AML2
CHEMBL2366220
 IC50 4.81 4.81 15570.0 1
U-266
CHEMBL2366315
 IC50 4.58 4.58 26590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
OCI-AML2 IC50 = 15570.0 nM 4.81 Antiproliferative activity against human OCI-AML2 cells incubated for 48 hrs by ... 38795517
U-266 IC50 = 26590.0 nM 4.58 Antiproliferative activity against human U-266 cells incubated for 48 hrs by MTS... 38795517

Literature References

PubMed DOI Target Context # Activities
38795517 10.1016/j.ejmech.2024.116524 U-266 1
38795517 10.1016/j.ejmech.2024.116524 U-937 1
38795517 10.1016/j.ejmech.2024.116524 K562 1
38795517 10.1016/j.ejmech.2024.116524 OCI-AML2 1

Data from ChEMBL 36 via Core Engine