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Compound Detail

CHEMBL4743438

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Cc1ccccc1NC(=O)N1C(=O)C[C@H]1C(=O)NCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4743438
Phase Preclinical
Structure Type MOL
InChI Key IVVOOUBTAXUXMJ-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

319.3
MW (Da)
0.72
ALogP
4
HBA
3
HBD
115.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N3O5
MW 319.32
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
27726366 10.1021/acs.jmedchem.6b00576 Integrin alpha-V/beta-3 2
27726366 10.1021/acs.jmedchem.6b00576 Integrin alpha-V/beta-5 2
27726366 10.1021/acs.jmedchem.6b00576 Integrin alpha-V/beta-6 2
27726366 10.1021/acs.jmedchem.6b00576 Integrin alpha-5/beta-1 2
27726366 10.1021/acs.jmedchem.6b00576 Integrin alpha-4/beta-1 2
27726366 10.1021/acs.jmedchem.6b00576 Integrin alpha-IIb/beta-3 2
27726366 10.1021/acs.jmedchem.6b00576 Integrin alpha-L/beta-2 (LFA-1) 2
27726366 10.1021/acs.jmedchem.6b00576 SK-MEL-24 1
27726366 10.1021/acs.jmedchem.6b00576 MCF7 1
27726366 10.1021/acs.jmedchem.6b00576 HT-29 1
27726366 10.1021/acs.jmedchem.6b00576 K562 1
27726366 10.1021/acs.jmedchem.6b00576 HEL 1

Data from ChEMBL 36 via Core Engine