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Compound Detail

CHEMBL557268

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Nc1ccc(C(=O)Nc2ccc3cc4ccc(NC(=O)c5ccc(N)cc5)cc4nc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL557268
Phase Preclinical
Structure Type MOL
InChI Key RKNZTOJZJTXKFV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
5.06
ALogP
5
HBA
4
HBD
123.1
PSA (Ų)
0.23
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21N5O2
MW 447.50
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
19217190 10.1016/j.ejmech.2009.01.010 CHO 2
19217190 10.1016/j.ejmech.2009.01.010 ADMET 2
19217190 10.1016/j.ejmech.2009.01.010 CHO-K1 2

Data from ChEMBL 36 via Core Engine