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Compound Detail

CHEMBL4597803

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N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597803
Phase Preclinical
Structure Type MOL
InChI Key HRGIMFWURMHSRX-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

511.7
MW (Da)
6.03
ALogP
4
HBA
4
HBD
95.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H41N5O
MW 511.71
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.40

Data from ChEMBL 36 via Core Engine