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Compound Detail

CHEMBL4802989

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CNc1cc(F)cc2cc(C(=O)Nc3ccc(C(=O)O)cc3CN(CCO)C3CCCCC3)c(=O)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802989
Phase Preclinical
Structure Type MOL
InChI Key QPGWEXKHWNTZRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

510.6
MW (Da)
3.79
ALogP
6
HBA
5
HBD
134.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31FN4O5
MW 510.57
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine