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Compound Detail

CHEMBL4595825

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N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595825
Phase Preclinical
Structure Type MOL
InChI Key KEGGORLMXIOPRP-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

476.0
MW (Da)
4.74
ALogP
4
HBA
4
HBD
95.8
PSA (Ų)
0.28
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 C27H30ClN5O
MW 476.02
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.68

Data from ChEMBL 36 via Core Engine