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Compound Detail

CHEMBL3288560

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Cc1ccn2cc(-c3ccc(NC(=O)c4ccccc4C(=O)O)cc3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288560
Phase Preclinical
Structure Type MOL
InChI Key RRLBARKPGBYCIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
4.26
ALogP
4
HBA
2
HBD
83.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N3O3
MW 371.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
24950489 10.1016/j.ejmech.2014.05.071 HT-29 2
24950489 10.1016/j.ejmech.2014.05.071 LoVo 1
24950489 10.1016/j.ejmech.2014.05.071 HepG2 1
24950489 10.1016/j.ejmech.2014.05.071 A549 1

Data from ChEMBL 36 via Core Engine