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Compound Detail

CHEMBL1181436

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C#CCN(Cc1cc2c(O)nc(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)c(F)c1

Basic Information

ChEMBL ID CHEMBL1181436
Phase Preclinical
Structure Type MOL
InChI Key PIGKKMGHDBPLME-RPWUZVMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

637.6
MW (Da)
2.13
ALogP
9
HBA
6
HBD
219.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H32FN5O9
MW 637.62
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.88

Data from ChEMBL 36 via Core Engine