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Compound Detail

CHEMBL4597013

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

Basic Information

ChEMBL ID CHEMBL4597013
Phase Preclinical
Structure Type MOL
InChI Key FRUHEQBKJAVKNR-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
4.09
ALogP
5
HBA
4
HBD
105.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N5O2
MW 471.61
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine