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Compound Detail

CHEMBL191842

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Nc1cc(NC(=O)c2cc3cc(NC(=O)c4cc5ccccc5o4)ccc3[nH]2)c(CCCl)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL191842
Phase Preclinical
Structure Type MOL
InChI Key OYQJGWAIDKYEOK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

523.0
MW (Da)
6.94
ALogP
4
HBA
4
HBD
113.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H23ClN4O3
MW 522.99
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.37 7.37 43.0 1
L1210
CHEMBL386
 IC50 7.06 7.06 87.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 43.0 nM 7.37 The concentration required for inhibiting the growth of the murine B16-F0 melano... 15916443
L1210 IC50 = 87.0 nM 7.06 The concentration required for inhibiting the growth of the murine L1210 leukemi... 15916443

Literature References

PubMed DOI Target Context # Activities
15916443 10.1021/jm050179u L1210 1
15916443 10.1021/jm050179u Unchecked 1

Data from ChEMBL 36 via Core Engine