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Compound Detail

CHEMBL4596902

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COc1ccc2nc3c(c(NCCNC(=O)[C@@H](N)Cc4c[nH]c5ccccc45)c2c1)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596902
Phase Preclinical
Structure Type MOL
InChI Key GFMYQRNZXTUENT-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.6
MW (Da)
3.70
ALogP
5
HBA
4
HBD
105.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31N5O2
MW 457.58
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.56

Data from ChEMBL 36 via Core Engine