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Compound Detail

CHEMBL2219592

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CC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(NCCCN(C)CCCCNc4c5c(nc6ccccc46)CCCC5)c3[C@H](C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219592
Phase Preclinical
Structure Type MOL
InChI Key JPBICZJGLXJNKG-RRPNLBNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

608.3
MW (Da)
8.94
ALogP
5
HBA
2
HBD
53.1
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H46ClN5
MW 608.27
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine