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Compound Detail

CHEMBL2037219

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CN1CCN(c2cc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)/C5=C\c4ccc(C(=O)O)[nH]4)c3)cc(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2037219
Phase Preclinical
Structure Type MOL
InChI Key VMCLQUWQWRORBP-PKAZHMFMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

630.6
MW (Da)
5.97
ALogP
6
HBA
5
HBD
129.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H29F3N6O4
MW 630.63
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
24900443 10.1021/ml200261d NON-PROTEIN TARGET 4
24900443 10.1021/ml200261d ADMET 1

Data from ChEMBL 36 via Core Engine