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Compound Detail

CHEMBL521078

PORFIROMYCIN
🧪 Phase III
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🧪 Phase III
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1[C@@H]2N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL521078
Name PORFIROMYCIN
Phase Phase III
Structure Type MOL
InChI Key HRHKSTOGXBBQCB-VFWICMBZSA-N

Known Names

N-methylmitomycin c NSC-56410 Porfiromicina Porfiromycin Porfiromycine U-14,743 U-14743
1
Targets
10
Activities
2
Assay Types
0
PK Parameters
10
Publications
7
Known Names
3
Indications

Molecular Properties

348.4
MW (Da)
-1.31
ALogP
8
HBA
2
HBD
128.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -mycin
USAN Year 1965

Extended Properties

Molecular Formula C16H20N4O5
MW 348.36
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 1.55

Indications

Carcinoma Head and Neck Neoplasms Head and Neck Neoplasms

Activity Summary

IC50 6 meas. best 5.51
EC50 4 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.06 5.55 88.0 4
Unchecked
CHEMBL612545
 IC50 5.51 4.6967 3120.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 88.0 nM 7.06 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... -
Unchecked IC50 = 3120.0 nM 5.51 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -
Unchecked EC50 = 6803.0 nM 5.17 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... -
Unchecked IC50 = 8180.0 nM 5.09 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked EC50 = 9050.0 nM 5.04 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -
Unchecked EC50 = 11610.0 nM 4.93 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -
Unchecked IC50 = 16320.0 nM 4.79 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 31228.0 nM 4.5 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 65820.0 nM 4.18 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 77210.0 nM 4.11 PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... -

Literature References

PubMed DOI Target Context # Activities
11585455 10.1021/jm010202l Mus musculus 4
7328599 10.1021/jm00140a012 Mus musculus 2
7636865 10.1021/jm00016a005 Mus musculus 2
8496913 10.1021/jm00062a019 Mus musculus 2
7328599 10.1021/jm00140a012 ADMET 1
7636865 10.1021/jm00016a005 HeLa 1
7636865 10.1021/jm00016a005 Unchecked 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
19540628 10.1016/j.ejmech.2009.05.013 Mus musculus 1
19540628 10.1016/j.ejmech.2009.05.013 CCRF S-180 1

Data from ChEMBL 36 via Core Engine