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Compound Detail

CHEMBL4574620

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Cc1cn(-c2cc(NC(=O)c3ccc4c(c3)C[C@H](N(C)c3cncnc3)C4)cc(C34CC5CC(CC(C5)C3)C4)c2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4574620
Phase Preclinical
Structure Type MOL
InChI Key MNVFIXUOTSLQOL-BSSUVSBPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

558.7
MW (Da)
6.29
ALogP
6
HBA
1
HBD
75.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H38N6O
MW 558.73
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
31310125 10.1021/acs.jmedchem.9b00365 Epithelial discoidin domain-containing receptor 1 1
31310125 10.1021/acs.jmedchem.9b00365 Discoidin domain-containing receptor 2 1
31310125 10.1021/acs.jmedchem.9b00365 High affinity nerve growth factor receptor 1
31310125 10.1021/acs.jmedchem.9b00365 BDNF/NT-3 growth factors receptor 1
31310125 10.1021/acs.jmedchem.9b00365 NT-3 growth factor receptor 1

Data from ChEMBL 36 via Core Engine