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Compound Detail

CHEMBL1186082

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NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186082
Phase Preclinical
Structure Type MOL
InChI Key JAVIQCFYXIAUDS-OQBISYOISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

627.8
MW (Da)
5.18
ALogP
4
HBA
4
HBD
120.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H41N5O3
MW 627.79
Aromatic Rings 5
Heavy Atoms 47
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine