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Compound Detail

CHEMBL4597429

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COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1cnn(-c3cccc(Cl)c3F)c1)c1cc-2ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597429
Phase Preclinical
Structure Type MOL
InChI Key VQIDKPNXKOFWLR-HXOBKFHXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

591.0
MW (Da)
6.13
ALogP
7
HBA
3
HBD
127.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28ClFN6O4
MW 591.04
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.25

Data from ChEMBL 36 via Core Engine